2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one

PubChem CID: 364825

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Compound Synonyms	NSC631584, des-D-Garcigerrin A, 12b-hydroxy-, 124676-46-6, 2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one, CHEMBL4097066, DTXSID20327100, NSC-631584, 2-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthen-9-one
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	CC1C2CCCCC2CC2CCCCC21
Np Classifier Class	Plant xanthones
Deep Smiles	C=CCcccO)ccc6O))c=O)cco6)cO)ccc6))))))))))))C)C
Heavy Atom Count	23.0
Classyfire Class	Benzopyrans
Scaffold Graph Node Level	OC1C2CCCCC2OC2CCCCC21
Classyfire Subclass	1-benzopyrans
Isotope Atom Count	0.0
Molecular Complexity	488.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	1,4,5-trihydroxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	4.4
Gsk 4 400 Rule	True
Molecular Formula	C18H16O5
Scaffold Graph Node Bond Level	O=c1c2ccccc2oc2ccccc12
Prediction Swissadme	0.0
Inchi Key	ZLVHCWPTRLJYOL-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-3.895
Rotatable Bond Count	2.0
Logd	2.782
Synonyms	12b-hydroxy-des-d-garcigerrin a
Esol Class	Moderately soluble
Functional Groups	C=CC, c=O, cO, coc
Compound Name	2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one
Prediction Hob Swissadme	0.0
Exact Mass	312.1
Formal Charge	0.0
Monoisotopic Mass	312.1
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	312.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-5.207024982608695
Inchi	InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)17-13(15(10)22)14(21)9-6-5-7-11(19)16(9)23-17/h4-8,19-20,22H,1H2,2-3H3
Smiles	CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O
Nring	3.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Xanthones

1. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Reference:
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58. Outgoing r'ship FOUND_IN to/from Eucalyptus Camaldulensis (Plant) Rel Props:Source_db:npass_chem_all
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77. Outgoing r'ship FOUND_IN to/from Eucalyptus Globulus (Plant) Rel Props:Reference:
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79. Outgoing r'ship FOUND_IN to/from Eucalyptus Grandis (Plant) Rel Props:Reference:
80. Outgoing r'ship FOUND_IN to/from Eucalyptus Gunnii (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Eucalyptus Haemastoma (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Eucalyptus Hybrid (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Eucalyptus Hybrida (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Eucalyptus Jenseni (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Eucalyptus Jensenii (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Eucalyptus Kirtoniana (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Eucalyptus Kitsoni (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Eucalyptus Kitsoniana (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Eucalyptus Lanceolatus (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Eucalyptus Leucoxylon (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Eucalyptus Luehmanniana (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Eucalyptus Macarthurii (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Eucalyptus Macrocarpa (Plant) Rel Props:Reference:
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155. Outgoing r'ship FOUND_IN to/from Garcinia Livingstonei (Plant) Rel Props:Reference:ISBN:9788185042145
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203. Outgoing r'ship FOUND_IN to/from Lonicera Implexa (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Lonicera Japonica (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Lonicera Korolkowii (Plant) Rel Props:Reference:
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213. Outgoing r'ship FOUND_IN to/from Lonicera Spinosa (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Lonicera Tatarica (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Magnolia Denudata (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Malus Sylvestris (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Malva Sylvestris (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Matteuccia Orientalis (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Mentha Sylvestris (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Nauclea Diderrichii (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Nauclea Officinalis (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Nauclea Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
223. Outgoing r'ship FOUND_IN to/from Nauclea Parva (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Nauclea Rhynchophylla (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Nicotiana Acuminata (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Nicotiana Affinis (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Nicotiana Debneyi (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Nicotiana Gossei (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Nicotiana Macrophylla (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Nicotiana Plumbaginifolia (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Nicotiana Raimondii (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Nicotiana Rustica (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
234. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Nicotiana Undulata (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Perriera Orientalis (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Persicaria Orientalis (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Phoenix Sylvestris (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Pholidota Pallida (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Pinus Sylvestris (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Platanus Orientalis (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Plectranthus Sylvestris (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Psychotria Sarmentosa (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Rhus Sylvestris (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Russelia Sarmentosa (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Salvia Divaricata (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Saposhnikovia Divaricata (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Schefflera Divaricata (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Scutellaria Orientalis (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Senecio Abrotanifolius (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Senecio Adenophyllus (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Senecio Alpinus (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Senecio Ambraceus (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Senecio Asper (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Senecio Aureus (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Senecio Behnii (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Senecio Brasiliensis (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Senecio Candollei (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Senecio Cappa (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Senecio Cathcartensis (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Senecio Chinensis (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Senecio Chionophilus (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Senecio Chrysanthemoides (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Senecio Coahuilensis (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Senecio Congestus (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Senecio Densiflorus (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Senecio Desfontainei (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Senecio Dolichodoryius (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Senecio Eremophilus (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Senecio Erraticus (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Senecio Flammeus (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Senecio Flavus (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Senecio Fuertesii (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Senecio Gilliesi (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Senecio Graciliflorus (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Senecio Grandiflorus (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Senecio Heliopsis (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Senecio Hohenackeri (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Senecio Integerrimus (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Senecio Isatideus (Plant) Rel Props:Reference:
282. Outgoing r'ship FOUND_IN to/from Senecio Jacobaea (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Senecio Jacquemontianus (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Senecio Kaempferi (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Senecio Laetus (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Senecio Latifolius (Plant) Rel Props:Reference:
287. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
288. Outgoing r'ship FOUND_IN to/from Senecio Macrocephalus (Plant) Rel Props:Reference:
289. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
290. Outgoing r'ship FOUND_IN to/from Senecio Madagascariensis (Plant) Rel Props:Reference:
291. Outgoing r'ship FOUND_IN to/from Senecio Mexicanus (Plant) Rel Props:Reference:
292. Outgoing r'ship FOUND_IN to/from Senecio Microglossus (Plant) Rel Props:Reference:
293. Outgoing r'ship FOUND_IN to/from Senecio Miser (Plant) Rel Props:Reference:
294. Outgoing r'ship FOUND_IN to/from Senecio Nemorensis (Plant) Rel Props:Reference:
295. Outgoing r'ship FOUND_IN to/from Senecio Nudicaulis (Plant) Rel Props:Reference:
296. Outgoing r'ship FOUND_IN to/from Senecio Oryzetorum (Plant) Rel Props:Reference:
297. Outgoing r'ship FOUND_IN to/from Senecio Othonniformis (Plant) Rel Props:Reference:
298. Outgoing r'ship FOUND_IN to/from Senecio Paludaffinis (Plant) Rel Props:Reference:
299. Outgoing r'ship FOUND_IN to/from Senecio Paucicazyculatus (Plant) Rel Props:Reference:
300. Outgoing r'ship FOUND_IN to/from Senecio Platyphylloides (Plant) Rel Props:Reference:
301. Outgoing r'ship FOUND_IN to/from Senecio Platyphyllus (Plant) Rel Props:Reference:
302. Outgoing r'ship FOUND_IN to/from Senecio Polyodon (Plant) Rel Props:Reference:
303. Outgoing r'ship FOUND_IN to/from Senecio Praecox (Plant) Rel Props:Reference:
304. Outgoing r'ship FOUND_IN to/from Senecio Pyramidatus (Plant) Rel Props:Reference:
305. Outgoing r'ship FOUND_IN to/from Senecio Quinquelobus (Plant) Rel Props:Reference:
306. Outgoing r'ship FOUND_IN to/from Senecio Renardii (Plant) Rel Props:Reference:
307. Outgoing r'ship FOUND_IN to/from Senecio Retrorsus (Plant) Rel Props:Reference:
308. Outgoing r'ship FOUND_IN to/from Senecio Rivularis (Plant) Rel Props:Reference:
309. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
310. Outgoing r'ship FOUND_IN to/from Senecio Rosmarinifolius (Plant) Rel Props:Reference:
311. Outgoing r'ship FOUND_IN to/from Senecio Rufinervis (Plant) Rel Props:Reference:
312. Outgoing r'ship FOUND_IN to/from Senecio Rupestris (Plant) Rel Props:Reference:
313. Outgoing r'ship FOUND_IN to/from Senecio Ruwenzoriensis (Plant) Rel Props:Reference:
314. Outgoing r'ship FOUND_IN to/from Senecio Sandersonii (Plant) Rel Props:Reference:
315. Outgoing r'ship FOUND_IN to/from Senecio Scandens (Plant) Rel Props:Reference:
316. Outgoing r'ship FOUND_IN to/from Senecio Sinuatus (Plant) Rel Props:Reference:
317. Outgoing r'ship FOUND_IN to/from Senecio Speciosus (Plant) Rel Props:Reference:
318. Outgoing r'ship FOUND_IN to/from Senecio Squalidus (Plant) Rel Props:Reference:
319. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
320. Outgoing r'ship FOUND_IN to/from Senecio Subdentatus (Plant) Rel Props:Reference:
321. Outgoing r'ship FOUND_IN to/from Senecio Taiwanensis (Plant) Rel Props:Reference:
322. Outgoing r'ship FOUND_IN to/from Senecio Tenuifolius (Plant) Rel Props:Reference:
323. Outgoing r'ship FOUND_IN to/from Senecio Tibeticus (Plant) Rel Props:Reference:
324. Outgoing r'ship FOUND_IN to/from Senecio Toluccanus (Plant) Rel Props:Reference:
325. Outgoing r'ship FOUND_IN to/from Senecio Tricephalus (Plant) Rel Props:Reference:
326. Outgoing r'ship FOUND_IN to/from Senecio Variabilis (Plant) Rel Props:Reference:
327. Outgoing r'ship FOUND_IN to/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
328. Outgoing r'ship FOUND_IN to/from Senecio Viscosus (Plant) Rel Props:Reference:
329. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
330. Outgoing r'ship FOUND_IN to/from Senecio Zoellneri (Plant) Rel Props:Reference:
331. Outgoing r'ship FOUND_IN to/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
332. Outgoing r'ship FOUND_IN to/from Sida Orientalis (Plant) Rel Props:Reference:
333. Outgoing r'ship FOUND_IN to/from Siegesbeckia Orientalis (Plant) Rel Props:Reference:
334. Outgoing r'ship FOUND_IN to/from Sigesbeckia Orientalis (Plant) Rel Props:Reference:
335. Outgoing r'ship FOUND_IN to/from Stipa Orientalis (Plant) Rel Props:Reference:
336. Outgoing r'ship FOUND_IN to/from Tabernaemontana Divaricata (Plant) Rel Props:Reference:
337. Outgoing r'ship FOUND_IN to/from Telosma Pallida (Plant) Rel Props:Reference:
338. Outgoing r'ship FOUND_IN to/from Terminalia Pallida (Plant) Rel Props:Reference:
339. Outgoing r'ship FOUND_IN to/from Tetracera Sarmentosa (Plant) Rel Props:Reference:
340. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
341. Outgoing r'ship FOUND_IN to/from Tournefortia Sarmentosa (Plant) Rel Props:Reference:
342. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
343. Outgoing r'ship FOUND_IN to/from Trema Orientalis (Plant) Rel Props:Reference:
344. Outgoing r'ship FOUND_IN to/from Tulipa Sylvestris (Plant) Rel Props:Reference:
345. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
346. Outgoing r'ship FOUND_IN to/from Uncaria Orientalis (Plant) Rel Props:Reference:
347. Outgoing r'ship FOUND_IN to/from Viola Sylvestris (Plant) Rel Props:Reference:
348. Outgoing r'ship FOUND_IN to/from Virgilia Divaricata (Plant) Rel Props:Reference:
349. Outgoing r'ship FOUND_IN to/from Vismia Orientalis (Plant) Rel Props:Reference:
350. Outgoing r'ship FOUND_IN to/from Vitis Pallida (Plant) Rel Props:Reference:
351. Outgoing r'ship FOUND_IN to/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
352. Outgoing r'ship FOUND_IN to/from Woodwardia Orientalis (Plant) Rel Props:Reference:
353. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
354. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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Grayu

2-(1,1-Dimethyl-2-propenyl)-1,4,5-trihydroxy-9H-xanthen-9-one

Graph

Phytochemical Properties

Associated Connections 354

Plant Connections 354