Dihydrocubebin

PubChem CID: 193042

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Compound Synonyms	Dihydrocubebin, 24563-03-9, (-)-Dihydrocubebin, (2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol, Cubebin, dihydro-, CHEBI:543841, CHEMBL486597, DTXSID00179301, 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (2R,3R)-, 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R,R)-(-)-, 1,4-Butanediol, 2,3-dipiperonyl-, (-)-, (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol, 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (R-(R,R))-, 1,4-Butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, [R-(R,R)]-, (2R,3R)-2,3-bis(Benzo(d)(1,3)dioxol-5-ylmethyl)butane-1,4-diol, SCHEMBL15775181, DTXCID90101792, BDBM50241937, HY-N10421, DA-62877, Q27105171
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	77.4
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	True
Scaffold Graph Level	C(CCC1CCC2CCCC2C1)CC1CCC2CCCC2C1
Np Classifier Class	Arylnaphthalene and aryltetralin lignans, Dibenzylbutane lignans
Deep Smiles	OC[C@@H][C@@H]Ccccccc6)OCO5)))))))))CO)))Ccccccc6)OCO5
Heavy Atom Count	26.0
Classyfire Class	Dibenzylbutane lignans
Scaffold Graph Node Level	C(CCC1CCC2OCOC2C1)CC1CCC2OCOC2C1
Classyfire Subclass	Dibenzylbutanediol lignans
Isotope Atom Count	0.0
Molecular Complexity	406.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Uniprot Id	n.a., P08684, P10635
Iupac Name	(2R,3R)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lignans, neolignans and related compounds
Target Id	NPT109, NPT110
Xlogp	2.9
Gsk 4 400 Rule	True
Molecular Formula	C20H22O6
Scaffold Graph Node Bond Level	c1cc2c(cc1CCCCc1ccc3c(c1)OCO3)OCO2
Prediction Swissadme	1.0
Inchi Key	JKCVMTYNARDGET-HOTGVXAUSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.4
Logs	-4.544
Rotatable Bond Count	7.0
Logd	2.776
Synonyms	(-)-dihydro-cubebin, (-)-dihydrocubebin, (-)dihydrocubebin, dihydrocubebin
Esol Class	Soluble
Functional Groups	CO, c1cOCO1
Compound Name	Dihydrocubebin
Prediction Hob Swissadme	1.0
Exact Mass	358.142
Formal Charge	0.0
Monoisotopic Mass	358.142
Hydrogen Bond Acceptor Count	6.0
Molecular Weight	358.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-3.7748564615384623
Inchi	InChI=1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
Smiles	C1OC2=C(O1)C=C(C=C2)C[C@@H](CO)[C@@H](CC3=CC4=C(C=C3)OCO4)CO
Nring	4.0
Np Classifier Biosynthetic Pathway	Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Lignans

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80. Outgoing r'ship FOUND_IN to/from Diospyros Mafiensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Diospyros Malabarica (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Diospyros Maritima (Plant) Rel Props:Reference:
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85. Outgoing r'ship FOUND_IN to/from Diospyros Mollis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Diospyros Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
87. Outgoing r'ship FOUND_IN to/from Diospyros Oocarpa (Plant) Rel Props:Reference:
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197. Outgoing r'ship FOUND_IN to/from Piper Trichostachyon (Plant) Rel Props:Reference:ISBN:9788185042138
198. Outgoing r'ship FOUND_IN to/from Piper Trioicum (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Piper Tuberculatum (Plant) Rel Props:Reference:
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203. Outgoing r'ship FOUND_IN to/from Prumnopitys Ferruginea (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Ptelea Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
205. Outgoing r'ship FOUND_IN to/from Ptelea Trifoliata (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Ptelea Viscosa (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Pueraria Montana (Plant) Rel Props:Reference:
208. Outgoing r'ship FOUND_IN to/from Pyracantha Crenulata (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Rhodiola Crenulata (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Ruta Montana (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Sansevieria Cylindrica (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Sansevieria Ehrenbergii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
213. Outgoing r'ship FOUND_IN to/from Sansevieria Hyacinthoides (Plant) Rel Props:Reference:
214. Outgoing r'ship FOUND_IN to/from Sansevieria Roxburghiana (Plant) Rel Props:Reference:
215. Outgoing r'ship FOUND_IN to/from Sansevieria Trifasciata (Plant) Rel Props:Reference:
216. Outgoing r'ship FOUND_IN to/from Satureja Montana (Plant) Rel Props:Reference:
217. Outgoing r'ship FOUND_IN to/from Sausserea Lappa (Plant) Rel Props:Reference:
218. Outgoing r'ship FOUND_IN to/from Saussurea Lappa (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Senna Montana (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Terminalia Crenulata (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Teucrium Alyssifolium (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Teucrium Asiaticum (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Teucrium Betonicum (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Teucrium Bidentatum (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Teucrium Chamaedrys (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Teucrium Cossonii (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Teucrium Depressum (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Teucrium Fragile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
229. Outgoing r'ship FOUND_IN to/from Teucrium Fruticans (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Teucrium Heterophyllum (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Teucrium Lanigerum (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Teucrium Leucocladum (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Teucrium Marum (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Teucrium Montanum (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Teucrium Nuchense (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Teucrium Orientale (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Teucrium Oxylepis (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Teucrium Pernyi (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Teucrium Pestalozzae (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Teucrium Pilosum (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Teucrium Polium (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Teucrium Quadrifarium (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Teucrium Scordium (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Teucrium Scorodonia (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Teucrium Viscidum (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Teucrium Yemense (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Trichilia Catigua (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Trichilia Claussenii (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Trichilia Connaroides (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Trichilia Dregeana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
251. Outgoing r'ship FOUND_IN to/from Trichilia Havanensis (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Trichilia Heudelotii (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Trichilia Hirta (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Trichilia Rubescens (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Uvaria Acuminata (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Uvaria Angolensis (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Uvaria Boniana (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Uvaria Calamistrata (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Uvaria Chamae (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Uvaria Cherrevensis (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Uvaria Dulcis (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Uvaria Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
263. Outgoing r'ship FOUND_IN to/from Uvaria Grandiflora (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Uvaria Griffithii (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Uvaria Hookeri (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Uvaria Kirkii (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Uvaria Klaineana (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Uvaria Lucida (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Uvaria Macrophylla (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Uvaria Microcarpa (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Uvaria Mocoli (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Uvaria Narum (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Uvaria Rufa (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Uvaria Scheffleri (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Vernicia Montana (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Veronica Anagallis (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Veronica Anagallis-Aquatica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
278. Outgoing r'ship FOUND_IN to/from Veronica Arvensis (Plant) Rel Props:Reference:
279. Outgoing r'ship FOUND_IN to/from Veronica Beccabunga (Plant) Rel Props:Reference:
280. Outgoing r'ship FOUND_IN to/from Veronica Chamaedrys (Plant) Rel Props:Reference:
281. Outgoing r'ship FOUND_IN to/from Veronica Cuneifolia (Plant) Rel Props:Reference:
282. Outgoing r'ship FOUND_IN to/from Veronica Hederifolia (Plant) Rel Props:Reference:
283. Outgoing r'ship FOUND_IN to/from Veronica Intercedens (Plant) Rel Props:Reference:
284. Outgoing r'ship FOUND_IN to/from Veronica Kellereri (Plant) Rel Props:Reference:
285. Outgoing r'ship FOUND_IN to/from Veronica Liwanensis (Plant) Rel Props:Reference:
286. Outgoing r'ship FOUND_IN to/from Veronica Longifolia (Plant) Rel Props:Reference:
287. Outgoing r'ship FOUND_IN to/from Veronica Macrostemon (Plant) Rel Props:Reference:
288. Outgoing r'ship FOUND_IN to/from Veronica Pectinata (Plant) Rel Props:Reference:
289. Outgoing r'ship FOUND_IN to/from Veronica Peregrina (Plant) Rel Props:Reference:
290. Outgoing r'ship FOUND_IN to/from Veronica Persica (Plant) Rel Props:Reference:
291. Outgoing r'ship FOUND_IN to/from Veronica Polita (Plant) Rel Props:Reference:
292. Outgoing r'ship FOUND_IN to/from Veronica Serpyllifolia (Plant) Rel Props:Reference:
293. Outgoing r'ship FOUND_IN to/from Veronica Spuria (Plant) Rel Props:Reference:
294. Outgoing r'ship FOUND_IN to/from Veronica Stricta (Plant) Rel Props:Reference:
295. Outgoing r'ship FOUND_IN to/from Veronica Thymoides (Plant) Rel Props:Reference:
296. Outgoing r'ship FOUND_IN to/from Viguiera Oblongifolia (Plant) Rel Props:Reference:
297. Outgoing r'ship FOUND_IN to/from Zehneria Thwaitesii (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 297

Plant Connections 297