7Beta,18-Dihydroxydehydroabietanol

PubChem CID: 21632835

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Compound Synonyms	7beta,18-dihydroxydehydroabietanol, CHEMBL598565, (1R,4aS,9S,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CCC1CCCCC12
Np Classifier Class	Abietane diterpenoids
Deep Smiles	OC[C@]C)CCC[C@][C@H]6C[C@H]O)cc6cccc6)CC)C))))))))))C
Heavy Atom Count	22.0
Classyfire Class	Prenol lipids
Scaffold Graph Node Level	C1CCC2C(C1)CCC1CCCCC12
Classyfire Subclass	Diterpenoids
Isotope Atom Count	0.0
Molecular Complexity	407.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	n.a.
Iupac Name	(1R,4aS,9S,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	4.4
Gsk 4 400 Rule	False
Molecular Formula	C20H30O2
Scaffold Graph Node Bond Level	c1ccc2c(c1)CCC1CCCCC21
Prediction Swissadme	1.0
Inchi Key	PORHOKHIMOFMMH-LWYYNNOASA-N
Silicos It Class	Moderately soluble
Fcsp3	0.7
Logs	-4.091
Rotatable Bond Count	2.0
Logd	3.686
Synonyms	7beta,18-dihydroxydehydroabietanol
Esol Class	Moderately soluble
Functional Groups	CO
Compound Name	7Beta,18-Dihydroxydehydroabietanol
Prediction Hob Swissadme	1.0
Exact Mass	302.225
Formal Charge	0.0
Monoisotopic Mass	302.225
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	302.5
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	-4.538157781818183
Inchi	InChI=1S/C20H30O2/c1-13(2)14-6-7-16-15(10-14)17(22)11-18-19(3,12-21)8-5-9-20(16,18)4/h6-7,10,13,17-18,21-22H,5,8-9,11-12H2,1-4H3/t17-,18-,19-,20+/m0/s1
Smiles	CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3C[C@@H]2O)(C)CO)C
Nring	3.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Diterpenoids

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76. Outgoing r'ship FOUND_IN to/from Aconitum Richardsonianum (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Aconitum Rotundifolium (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Aconitum Sachalinense (Plant) Rel Props:Source_db:npass_chem_all
79. Outgoing r'ship FOUND_IN to/from Aconitum Sajanense (Plant) Rel Props:Reference:
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81. Outgoing r'ship FOUND_IN to/from Aconitum Soongaricum (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Aconitum Subcuneatum (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Aconitum Sungpanense (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Aconitum Talassicum (Plant) Rel Props:Reference:
85. Outgoing r'ship FOUND_IN to/from Aconitum Tanguticum (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Aconitum Tasiromontanum (Plant) Rel Props:Reference:
87. Outgoing r'ship FOUND_IN to/from Aconitum Tianschanicum (Plant) Rel Props:Reference:
88. Outgoing r'ship FOUND_IN to/from Aconitum Triphyllum (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Aconitum Umbrosum (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Aconitum Variegatum (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorini (Plant) Rel Props:Reference:
92. Outgoing r'ship FOUND_IN to/from Aconitum Vilmorinianum (Plant) Rel Props:Reference:
93. Outgoing r'ship FOUND_IN to/from Aconitum Violaceum (Plant) Rel Props:Reference:
94. Outgoing r'ship FOUND_IN to/from Aconitum Volubile (Plant) Rel Props:Reference:
95. Outgoing r'ship FOUND_IN to/from Aconitum Zuccarini (Plant) Rel Props:Reference:
96. Outgoing r'ship FOUND_IN to/from Alangium Chinense (Plant) Rel Props:Reference:
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98. Outgoing r'ship FOUND_IN to/from Allophylus Serratus (Plant) Rel Props:Reference:
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100. Outgoing r'ship FOUND_IN to/from Berberis Actinacantha (Plant) Rel Props:Reference:
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147. Outgoing r'ship FOUND_IN to/from Brugmansia Suaveolens (Plant) Rel Props:Reference:
148. Outgoing r'ship FOUND_IN to/from Bupleurum Chinense (Plant) Rel Props:Reference:
149. Outgoing r'ship FOUND_IN to/from Cedrus Atlantica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
150. Outgoing r'ship FOUND_IN to/from Cedrus Deodara (Plant) Rel Props:Reference:ISBN:9788185042114
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152. Outgoing r'ship FOUND_IN to/from Chloranthus Serratus (Plant) Rel Props:Reference:
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154. Outgoing r'ship FOUND_IN to/from Clerodendrum Chinense (Plant) Rel Props:Reference:
155. Outgoing r'ship FOUND_IN to/from Clinopodium Chinense (Plant) Rel Props:Reference:
156. Outgoing r'ship FOUND_IN to/from Corydalis Suaveolens (Plant) Rel Props:Reference:
157. Outgoing r'ship FOUND_IN to/from Cynanchum Chinense (Plant) Rel Props:Reference:
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159. Outgoing r'ship FOUND_IN to/from Dysoxylum Macranthum (Plant) Rel Props:Reference:
160. Outgoing r'ship FOUND_IN to/from Elaeocarpus Floribundus (Plant) Rel Props:Reference:
161. Outgoing r'ship FOUND_IN to/from Elaeocarpus Fuscoides (Plant) Rel Props:Reference:
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169. Outgoing r'ship FOUND_IN to/from Elaeocarpus Tuberculatus (Plant) Rel Props:Reference:
170. Outgoing r'ship FOUND_IN to/from Epimedium Acuminatum (Plant) Rel Props:Reference:
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182. Outgoing r'ship FOUND_IN to/from Erythrophleum Suaveolens (Plant) Rel Props:Reference:
183. Outgoing r'ship FOUND_IN to/from Eupatorium Chinense (Plant) Rel Props:Reference:
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185. Outgoing r'ship FOUND_IN to/from Goniothalamus Amuyon (Plant) Rel Props:Reference:
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198. Outgoing r'ship FOUND_IN to/from Goniothalamus Thwaitesii (Plant) Rel Props:Reference:
199. Outgoing r'ship FOUND_IN to/from Goniothalamus Undulatus (Plant) Rel Props:Reference:
200. Outgoing r'ship FOUND_IN to/from Goniothalamus Waynaadensis (Plant) Rel Props:Reference:
201. Outgoing r'ship FOUND_IN to/from Goniothalamus Wightii (Plant) Rel Props:Reference:
202. Outgoing r'ship FOUND_IN to/from Hasteola Suaveolens (Plant) Rel Props:Reference:
203. Outgoing r'ship FOUND_IN to/from Hedysarum Sachalinense (Plant) Rel Props:Reference:
204. Outgoing r'ship FOUND_IN to/from Hypericum Chinense (Plant) Rel Props:Reference:
205. Outgoing r'ship FOUND_IN to/from Hyptis Suaveolens (Plant) Rel Props:Reference:
206. Outgoing r'ship FOUND_IN to/from Ipomea Gracilis (Plant) Rel Props:Reference:
207. Outgoing r'ship FOUND_IN to/from Loropetalum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
208. Outgoing r'ship FOUND_IN to/from Lycium Chinense (Plant) Rel Props:Reference:
209. Outgoing r'ship FOUND_IN to/from Lycopodium Chinense (Plant) Rel Props:Reference:
210. Outgoing r'ship FOUND_IN to/from Mentha Suaveolens (Plant) Rel Props:Reference:
211. Outgoing r'ship FOUND_IN to/from Oricia Suaveolens (Plant) Rel Props:Reference:
212. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
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218. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
219. Outgoing r'ship FOUND_IN to/from Papaver Glaucum (Plant) Rel Props:Reference:
220. Outgoing r'ship FOUND_IN to/from Papaver Hybrid (Plant) Rel Props:Reference:
221. Outgoing r'ship FOUND_IN to/from Papaver Hybridum (Plant) Rel Props:Reference:
222. Outgoing r'ship FOUND_IN to/from Papaver Nudicaule (Plant) Rel Props:Reference:
223. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
224. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Reference:
225. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Reference:
226. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Reference:
227. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
228. Outgoing r'ship FOUND_IN to/from Papaver Sommiferum (Plant) Rel Props:Reference:
229. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Reference:
230. Outgoing r'ship FOUND_IN to/from Papaver Tatricum (Plant) Rel Props:Reference:
231. Outgoing r'ship FOUND_IN to/from Phellodendron Chinense (Plant) Rel Props:Reference:
232. Outgoing r'ship FOUND_IN to/from Phellodendron Sachalinense (Plant) Rel Props:Reference:
233. Outgoing r'ship FOUND_IN to/from Picea Abies (Plant) Rel Props:Reference:
234. Outgoing r'ship FOUND_IN to/from Pistacia Atlantica (Plant) Rel Props:Reference:
235. Outgoing r'ship FOUND_IN to/from Pluchea Suaveolens (Plant) Rel Props:Reference:
236. Outgoing r'ship FOUND_IN to/from Podocarpus Macrophyllus (Plant) Rel Props:Reference:
237. Outgoing r'ship FOUND_IN to/from Poikilospermum Suaveolens (Plant) Rel Props:Reference:
238. Outgoing r'ship FOUND_IN to/from Polygonum Chinense (Plant) Rel Props:Reference:
239. Outgoing r'ship FOUND_IN to/from Psychotria Adenophylla (Plant) Rel Props:Reference:
240. Outgoing r'ship FOUND_IN to/from Psychotria Bahiensis (Plant) Rel Props:Reference:
241. Outgoing r'ship FOUND_IN to/from Psychotria Calocarpa (Plant) Rel Props:Reference:
242. Outgoing r'ship FOUND_IN to/from Psychotria Dalzelii (Plant) Rel Props:Reference:
243. Outgoing r'ship FOUND_IN to/from Psychotria Glandulosa (Plant) Rel Props:Reference:
244. Outgoing r'ship FOUND_IN to/from Psychotria Klugii (Plant) Rel Props:Reference:
245. Outgoing r'ship FOUND_IN to/from Psychotria Leiocarpa (Plant) Rel Props:Reference:
246. Outgoing r'ship FOUND_IN to/from Psychotria Platyneura (Plant) Rel Props:Reference:
247. Outgoing r'ship FOUND_IN to/from Psychotria Rostrata (Plant) Rel Props:Reference:
248. Outgoing r'ship FOUND_IN to/from Psychotria Sarmentosa (Plant) Rel Props:Reference:
249. Outgoing r'ship FOUND_IN to/from Psychotria Serpens (Plant) Rel Props:Reference:
250. Outgoing r'ship FOUND_IN to/from Psychotria St (Plant) Rel Props:Reference:
251. Outgoing r'ship FOUND_IN to/from Psychotria Stachyoides (Plant) Rel Props:Reference:
252. Outgoing r'ship FOUND_IN to/from Reseda Luteola (Plant) Rel Props:Reference:
253. Outgoing r'ship FOUND_IN to/from Rhynchosia Suaveolens (Plant) Rel Props:Reference:
254. Outgoing r'ship FOUND_IN to/from Ribes Fasciculatum (Plant) Rel Props:Reference:
255. Outgoing r'ship FOUND_IN to/from Robinsonia Gracilis (Plant) Rel Props:Reference:
256. Outgoing r'ship FOUND_IN to/from Senecio Macrophyllus (Plant) Rel Props:Reference:
257. Outgoing r'ship FOUND_IN to/from Senecio Suaveolens (Plant) Rel Props:Reference:
258. Outgoing r'ship FOUND_IN to/from Spermadictyon Suaveolens (Plant) Rel Props:Reference:
259. Outgoing r'ship FOUND_IN to/from Sphallerocarpus Gracilis (Plant) Rel Props:Reference:
260. Outgoing r'ship FOUND_IN to/from Thesium Chinense (Plant) Rel Props:Reference:
261. Outgoing r'ship FOUND_IN to/from Tragopogon Gracilis (Plant) Rel Props:Reference:
262. Outgoing r'ship FOUND_IN to/from Verbascum Chinense (Plant) Rel Props:Reference:
263. Outgoing r'ship FOUND_IN to/from Vernonia Chinense (Plant) Rel Props:Reference:
264. Outgoing r'ship FOUND_IN to/from Vigna Aconitifolia (Plant) Rel Props:Reference:
265. Outgoing r'ship FOUND_IN to/from Vigna Adenantha (Plant) Rel Props:Reference:
266. Outgoing r'ship FOUND_IN to/from Vigna Angularis (Plant) Rel Props:Reference:
267. Outgoing r'ship FOUND_IN to/from Vigna Catjang (Plant) Rel Props:Reference:
268. Outgoing r'ship FOUND_IN to/from Vigna Dalzelliana (Plant) Rel Props:Reference:
269. Outgoing r'ship FOUND_IN to/from Vigna Grahmianus (Plant) Rel Props:Reference:
270. Outgoing r'ship FOUND_IN to/from Vigna Mungo (Plant) Rel Props:Reference:
271. Outgoing r'ship FOUND_IN to/from Vigna Pilosa (Plant) Rel Props:Reference:
272. Outgoing r'ship FOUND_IN to/from Vigna Radiata (Plant) Rel Props:Reference:
273. Outgoing r'ship FOUND_IN to/from Vigna Trilobata (Plant) Rel Props:Reference:
274. Outgoing r'ship FOUND_IN to/from Vigna Umbellata (Plant) Rel Props:Reference:
275. Outgoing r'ship FOUND_IN to/from Vigna Umbeuata (Plant) Rel Props:Reference:
276. Outgoing r'ship FOUND_IN to/from Vigna Unguiculata (Plant) Rel Props:Reference:
277. Outgoing r'ship FOUND_IN to/from Vigna Vexillata (Plant) Rel Props:Reference:
278. Outgoing r'ship FOUND_IN to/from Wigandia Urens (Plant) Rel Props:Reference:

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Grayu

7Beta,18-Dihydroxydehydroabietanol

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Phytochemical Properties

Associated Connections 278

Plant Connections 278