Summary

IMPPAT Phytochemical identifier: IMPHY007917

Phytochemical name: (1S,2R,4aS,8aS)-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-decahydronaphthalen-2-ol

Synonymous chemical names:
driman-8,11-diol

External chemical identifiers:
CID:10879261, ZINC:ZINC000004854762, SureChEMBL:SCHEMBL385019

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Chemical structure information

SMILES:
OC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C

InChI:
InChI=1S/C15H28O2/c1-13(2)7-5-8-14(3)11(13)6-9-15(4,17)12(14)10-16/h11-12,16-17H,5-10H2,1-4H3/t11-,12+,14-,15+/m0/s1

InChIKey:
MLWFPIRGSGERCY-MYZSUADSSA-N

DeepSMILES:
OC[C@H][C@]C)O)CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Brasilane sesquiterpenoids, Drimane sesquiterpenoids

NP-Likeness score: 3.057

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Chemical structure download