Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018265

Phytochemical name: (-)-Modhephene

Synonymous chemical names:
(-)-Modhephene

External chemical identifiers:
CID:CID_11030947

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Chemical structure information

SMILES:
C[C@@H]1CC[C@@]23[C@@]1(CCC2)C(=CC3(C)C)C

InChI:
InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14+,15-/m1/s1

InChIKey:
APGXRXFCBZKIAN-BYCMXARLSA-N

DeepSMILES:
C[C@@H]CC[C@@][C@@]5CCC5)))C=CC5C)C)))C

Functional groups:
CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCCC2(C1)CCC3

Scaffold Graph/Node level:
C1CC23CCCC2(C1)CCC3

Scaffold Graph level:
C1CC23CCCC2(C1)CCC3

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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: Chamigrane sesquiterpenoids

NP-Likeness score: 3.131

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Chemical structure download