Summary

IMPPAT Phytochemical identifier: IMPHY015577

Phytochemical name: (1S,6S,7S,10S)-4,10-dimethyl-7-prop-1-en-2-yltricyclo[4.4.0.01,5]decane

Synonymous chemical names:
cubeb-11-ene

External chemical identifiers:
CID:91753458

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Chemical structure information

SMILES:
CC(=C)[C@H]1CC[C@@H]([C@]23[C@@H]1C2C(C)CC3)C

InChI:
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13?,14-,15-/m0/s1

InChIKey:
RRNQKHLQNVWUCD-AUJGNRQJSA-N

DeepSMILES:
CC=C)[C@H]CC[C@@H][C@][C@@H]6C3CC)CC6))))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC23CCCC2C3C1

Scaffold Graph/Node level:
C1CCC23CCCC2C3C1

Scaffold Graph level:
C1CCC23CCCC2C3C1

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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: Cubebane sesquiterpenoids

NP-Likeness score: 3.149

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Chemical structure download