Hautriwaic acid

PubChem CID: 12310372

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Compound Synonyms	Hautriwaic acid, 18411-75-1, (4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid, DTXSID20904213, AKOS040761817, FS-9347, CS-0024582
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(CCC2CCCC3CCCCC32)C1
Np Classifier Class	Colensane and Clerodane diterpenoids
Deep Smiles	OC[C@@]CC[C@H][C@][C@H]6CCC=C%10C=O)O)))))))C)CCcccoc5))))))))C
Heavy Atom Count	24.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCCC2CCC1CCOC1
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	514.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Iupac Name	(4aR,5S,6R,8aS)-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	4.2
Gsk 4 400 Rule	False
Molecular Formula	C20H28O4
Scaffold Graph Node Bond Level	C1=CC2CCCC(CCc3ccoc3)C2CC1
Prediction Swissadme	0.0
Inchi Key	PHKSUFCCGLWIMC-SIKIZQCASA-N
Silicos It Class	Moderately soluble
Fcsp3	0.65
Logs	-2.678
Rotatable Bond Count	5.0
Logd	1.617
Synonyms	hautriwaic acid
Esol Class	Moderately soluble
Functional Groups	CC=C(C)C(=O)O, CO, coc
Compound Name	Hautriwaic acid
Prediction Hob Swissadme	0.0
Exact Mass	332.199
Formal Charge	0.0
Monoisotopic Mass	332.199
Hydrogen Bond Acceptor Count	4.0
Molecular Weight	332.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-4.957245066666667
Inchi	InChI=1S/C20H28O4/c1-14-6-10-20(13-21)16(18(22)23)4-3-5-17(20)19(14,2)9-7-15-8-11-24-12-15/h4,8,11-12,14,17,21H,3,5-7,9-10,13H2,1-2H3,(H,22,23)/t14-,17-,19+,20-/m1/s1
Smiles	C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=COC=C3)CCC=C2C(=O)O)CO
Nring	2.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Diterpenoids

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62. Outgoing r'ship FOUND_IN to/from Acronychia Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
63. Outgoing r'ship FOUND_IN to/from Annona Bullata (Plant) Rel Props:Reference:
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81. Outgoing r'ship FOUND_IN to/from Berberis Dubia (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Berberis Floribunda (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Berberis Fortunei (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Berberis Ichiana (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Berberis Insignis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Berberis Integerrima (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Berberis Jaeschkeana (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Berberis Japonica (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Berberis Julianae (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Berberis Kawakamii (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Berberis Koreana (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Berberis Lambertii (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Berberis Laurina (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Berberis Lycium (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Berberis Nepalensis (Plant) Rel Props:Reference:
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97. Outgoing r'ship FOUND_IN to/from Berberis Orthobotrys (Plant) Rel Props:Reference:
98. Outgoing r'ship FOUND_IN to/from Berberis Pachyacantha (Plant) Rel Props:Reference:
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102. Outgoing r'ship FOUND_IN to/from Berberis Pseudumbellata (Plant) Rel Props:Reference:
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197. Outgoing r'ship FOUND_IN to/from Garcinia Hombroniana (Plant) Rel Props:Reference:
198. Outgoing r'ship FOUND_IN to/from Garcinia Huillensis (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Garcinia Indica (Plant) Rel Props:Reference:
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204. Outgoing r'ship FOUND_IN to/from Garcinia Lancilimba (Plant) Rel Props:Reference:
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207. Outgoing r'ship FOUND_IN to/from Garcinia Linii (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Garcinia Livingstonei (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Garcinia Lucida (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Garcinia Macrophylla (Plant) Rel Props:Reference:
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212. Outgoing r'ship FOUND_IN to/from Garcinia Morella (Plant) Rel Props:Reference:
213. Outgoing r'ship FOUND_IN to/from Garcinia Multiflora (Plant) Rel Props:Reference:
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215. Outgoing r'ship FOUND_IN to/from Garcinia Nigrolineata (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Garcinia Oblongifolia (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Garcinia Oligantha (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Garcinia Ovalifolia (Plant) Rel Props:Reference:
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220. Outgoing r'ship FOUND_IN to/from Garcinia Paucinervis (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Garcinia Pedunculata (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Garcinia Polyantha (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Garcinia Pseudoguttifera (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Garcinia Purpurea (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Garcinia Pyrifera (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Garcinia Quaesita (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Garcinia Scortechinii (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Garcinia Speciosa (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Garcinia Spicata (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Garcinia Subelliptica (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Garcinia Talbotii (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Garcinia Tinctoria (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Garcinia Travancorica (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Garcinia Virgata (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Garcinia Wightii (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Garcinia Xanthochymus (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Garcinia Xipshuanbannaensis (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Heteropappus Altaicus (Plant) Rel Props:Reference:ISBN:9788185042138
239. Outgoing r'ship FOUND_IN to/from Hevea Brasiliensis (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Ipomoea Alba (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Ipomoea Aquatica (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Ipomoea Arachnosperma (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Ipomoea Argyrophylla (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Ipomoea Asarifolia (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Ipomoea Batatas (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Ipomoea Biloba (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Ipomoea Cairica (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Ipomoea Campanulata (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Ipomoea Carnea (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Ipomoea Cheirophylla (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Ipomoea Coccinea (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Ipomoea Coptica (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Ipomoea Cristulata (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Ipomoea Cymosa (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Ipomoea Dasysperma (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Ipomoea Dichroa (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Ipomoea Digitata (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Ipomoea Dumosa (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Ipomoea Eriocarpa (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Ipomoea Fistulosa (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Ipomoea Grandiflora (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Ipomoea Hederacea (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Ipomoea Hederifolia (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Ipomoea Hispida (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Ipomoea Illustris (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Ipomoea Indica (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Ipomoea Involucrata (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Ipomoea Marginata (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Ipomoea Mauritiana (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Ipomoea Maxima (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Ipomoea Muelleri (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Ipomoea Muricata (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Ipomoea Nil (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
274. Outgoing r'ship FOUND_IN to/from Ipomoea Obscura (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Ipomoea Pescaprae (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Ipomoea Petaloidea (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Ipomoea Purga (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Ipomoea Purpurea (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Ipomoea Quamoclit (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Ipomoea Reniformis (Plant) Rel Props:Reference:
282. Outgoing r'ship FOUND_IN to/from Ipomoea Reptans (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Ipomoea Rubriflora (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Ipomoea Sepiaria (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Ipomoea Sindica (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Ipomoea Staphylina (Plant) Rel Props:Reference:
287. Outgoing r'ship FOUND_IN to/from Ipomoea Tricolor (Plant) Rel Props:Reference:
288. Outgoing r'ship FOUND_IN to/from Ipomoea Tridentata (Plant) Rel Props:Reference:
289. Outgoing r'ship FOUND_IN to/from Ipomoea Turbinata (Plant) Rel Props:Reference:
290. Outgoing r'ship FOUND_IN to/from Ipomoea Turpethum (Plant) Rel Props:Reference:
291. Outgoing r'ship FOUND_IN to/from Ipomoea Uniflora (Plant) Rel Props:Reference:
292. Outgoing r'ship FOUND_IN to/from Ipomoea Violacea (Plant) Rel Props:Reference:
293. Outgoing r'ship FOUND_IN to/from Ipomoea Vitifolia (Plant) Rel Props:Reference:
294. Outgoing r'ship FOUND_IN to/from Licaria Brasiliensis (Plant) Rel Props:Reference:
295. Outgoing r'ship FOUND_IN to/from Loranthus Falcatus (Plant) Rel Props:Reference:
296. Outgoing r'ship FOUND_IN to/from Loranthus Longiflorus (Plant) Rel Props:Reference:
297. Outgoing r'ship FOUND_IN to/from Loranthus Parasiticus (Plant) Rel Props:Reference:
298. Outgoing r'ship FOUND_IN to/from Lycopsis Europaeus (Plant) Rel Props:Reference:
299. Outgoing r'ship FOUND_IN to/from Lycopus Europaeus (Plant) Rel Props:Reference:
300. Outgoing r'ship FOUND_IN to/from Ocotea Bullata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
301. Outgoing r'ship FOUND_IN to/from Ocotea Minarum (Plant) Rel Props:Reference:
302. Outgoing r'ship FOUND_IN to/from Ocotea Pulchella (Plant) Rel Props:Reference:
303. Outgoing r'ship FOUND_IN to/from Ononis Viscosa (Plant) Rel Props:Reference:
304. Outgoing r'ship FOUND_IN to/from Pittosporum Floribundum (Plant) Rel Props:Reference:
305. Outgoing r'ship FOUND_IN to/from Platymiscium Floribundum (Plant) Rel Props:Reference:
306. Outgoing r'ship FOUND_IN to/from Potentilla Viscosa (Plant) Rel Props:Reference:
307. Outgoing r'ship FOUND_IN to/from Primula Pulverulenta (Plant) Rel Props:Reference:
308. Outgoing r'ship FOUND_IN to/from Primula Viscosa (Plant) Rel Props:Reference:
309. Outgoing r'ship FOUND_IN to/from Pseudobrickellia Brasiliensis (Plant) Rel Props:Reference:
310. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
311. Outgoing r'ship FOUND_IN to/from Quercus Variabilis (Plant) Rel Props:Reference:
312. Outgoing r'ship FOUND_IN to/from Saracha Viscosa (Plant) Rel Props:Reference:
313. Outgoing r'ship FOUND_IN to/from Senecio Brasiliensis (Plant) Rel Props:Reference:
314. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
315. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
316. Outgoing r'ship FOUND_IN to/from Shuteria Involucrata (Plant) Rel Props:Reference:
317. Outgoing r'ship FOUND_IN to/from Stemodia Viscosa (Plant) Rel Props:Reference:
318. Outgoing r'ship FOUND_IN to/from Tetradenia Glauca (Plant) Rel Props:Reference:
319. Outgoing r'ship FOUND_IN to/from Tetradenia Riparia (Plant) Rel Props:Reference:
320. Outgoing r'ship FOUND_IN to/from Trollius Europaeus (Plant) Rel Props:Reference:
321. Outgoing r'ship FOUND_IN to/from Ulex Europaeus (Plant) Rel Props:Reference:
322. Outgoing r'ship FOUND_IN to/from Verbesina Encelioides (Plant) Rel Props:Reference:
323. Outgoing r'ship FOUND_IN to/from Verbesina Rupestris (Plant) Rel Props:Reference:
324. Outgoing r'ship FOUND_IN to/from Verbesina Virgata (Plant) Rel Props:Reference:
325. Outgoing r'ship FOUND_IN to/from Verbesina Virginica (Plant) Rel Props:Reference:
326. Outgoing r'ship FOUND_IN to/from Vernonia Anisochaetoides (Plant) Rel Props:Reference:
327. Outgoing r'ship FOUND_IN to/from Vernonia Anthelmintica (Plant) Rel Props:Reference:
328. Outgoing r'ship FOUND_IN to/from Vernonia Arborea (Plant) Rel Props:Reference:
329. Outgoing r'ship FOUND_IN to/from Vernonia Arctioides (Plant) Rel Props:Reference:
330. Outgoing r'ship FOUND_IN to/from Vernonia Aurea (Plant) Rel Props:Reference:
331. Outgoing r'ship FOUND_IN to/from Vernonia Brevifolia (Plant) Rel Props:Reference:
332. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
333. Outgoing r'ship FOUND_IN to/from Vernonia Chloropappa (Plant) Rel Props:Reference:
334. Outgoing r'ship FOUND_IN to/from Vernonia Cinerea (Plant) Rel Props:Reference:
335. Outgoing r'ship FOUND_IN to/from Vernonia Cistifolia (Plant) Rel Props:Reference:
336. Outgoing r'ship FOUND_IN to/from Vernonia Colorata (Plant) Rel Props:Reference:
337. Outgoing r'ship FOUND_IN to/from Vernonia Condensata (Plant) Rel Props:Reference:
338. Outgoing r'ship FOUND_IN to/from Vernonia Echitifolia (Plant) Rel Props:Reference:
339. Outgoing r'ship FOUND_IN to/from Vernonia Esculenta (Plant) Rel Props:Reference:
340. Outgoing r'ship FOUND_IN to/from Vernonia Fagifolia (Plant) Rel Props:Reference:
341. Outgoing r'ship FOUND_IN to/from Vernonia Flexuosa (Plant) Rel Props:Reference:
342. Outgoing r'ship FOUND_IN to/from Vernonia Guineensis (Plant) Rel Props:Reference:
343. Outgoing r'ship FOUND_IN to/from Vernonia Lanuginosa (Plant) Rel Props:Reference:
344. Outgoing r'ship FOUND_IN to/from Vernonia Leopoldi (Plant) Rel Props:Reference:
345. Outgoing r'ship FOUND_IN to/from Vernonia Lilacina (Plant) Rel Props:Reference:
346. Outgoing r'ship FOUND_IN to/from Vernonia Megapotamica (Plant) Rel Props:Reference:
347. Outgoing r'ship FOUND_IN to/from Vernonia Menthaefolia (Plant) Rel Props:Reference:
348. Outgoing r'ship FOUND_IN to/from Vernonia Pachyclada (Plant) Rel Props:Reference:
349. Outgoing r'ship FOUND_IN to/from Vernonia Profuga (Plant) Rel Props:Reference:
350. Outgoing r'ship FOUND_IN to/from Vernonia Pyramidale (Plant) Rel Props:Reference:
351. Outgoing r'ship FOUND_IN to/from Vernonia Scorpioides (Plant) Rel Props:Reference:
352. Outgoing r'ship FOUND_IN to/from Vernonia Serratuloides (Plant) Rel Props:Reference:
353. Outgoing r'ship FOUND_IN to/from Vernonia Steetziana (Plant) Rel Props:Reference:
354. Outgoing r'ship FOUND_IN to/from Vernonia Tufnellae (Plant) Rel Props:Reference:
355. Outgoing r'ship FOUND_IN to/from Vernonia Volkameriaefolia (Plant) Rel Props:Reference:
356. Outgoing r'ship FOUND_IN to/from Vicoa Vestita (Plant) Rel Props:Reference:
357. Outgoing r'ship FOUND_IN to/from Viscaria Viscosa (Plant) Rel Props:Reference:
358. Outgoing r'ship FOUND_IN to/from Xylopia Brasiliensis (Plant) Rel Props:Reference:

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Hautriwaic acid

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Phytochemical Properties

Associated Connections 358

Plant Connections 358