Summary

IMPPAT Phytochemical identifier: IMPHY002315

Phytochemical name: Erythroxylol B

Synonymous chemical names:
(+)-stach-15-en-17-ol, erythroxylol b

External chemical identifiers:
CID:101289568

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Chemical structure information

SMILES:
OC[C@]12CC[C@@H]3[C@@](C2)(C=C1)CC[C@H]1[C@@]3(C)CCCC1(C)C

InChI:
InChI=1S/C20H32O/c1-17(2)7-4-8-18(3)15(17)6-10-20-12-11-19(13-20,14-21)9-5-16(18)20/h11-12,15-16,21H,4-10,13-14H2,1-3H3/t15-,16+,18-,19-,20-/m1/s1

InChIKey:
ZZMIOBAZLJMEDV-QQXMDYFESA-N

DeepSMILES:
OC[C@@]CC[C@@H][C@@]C6)C=C7))CC[C@H][C@@]6C)CCCC6C)C

Functional groups:
CC=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCC4CCCCC4C2CCC1C3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

Scaffold Graph level:
C1CCC2C(C1)CCC13CCC(CCC21)C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Beyerane diterpenoids, Norkaurane diterpenoids

NP-Likeness score: 3.094

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Chemical structure download