Summary

IMPPAT Phytochemical identifier: IMPHY011080

Phytochemical name: 2-[(1S,2S,3R,7S)-6,8-dimethyl-3-tricyclo[4.4.0.02,7]dec-8-enyl]propan-2-ol

Synonymous chemical names:
alpha-copaen-11-ol

External chemical identifiers:
CID:101281096

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Chemical structure information

SMILES:
CC1=CC[C@H]2[C@H]3[C@@H]1C2(C)CC[C@H]3C(O)(C)C

InChI:
InChI=1S/C15H24O/c1-9-5-6-11-12-10(14(2,3)16)7-8-15(11,4)13(9)12/h5,10-13,16H,6-8H2,1-4H3/t10-,11+,12+,13-,15?/m1/s1

InChIKey:
IKIHFZGZEWTHEQ-JZQBXTLISA-N

DeepSMILES:
CC=CC[C@H][C@H][C@@H]6C4C)CC[C@H]6CO)C)C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCC2C3C1

Scaffold Graph/Node level:
C1CC2C3CCCC2C3C1

Scaffold Graph level:
C1CC2C3CCCC2C3C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Copaane sesquiterpenoids

NP-Likeness score: 3.172

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Chemical structure download