Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018120

Phytochemical name: 7-(Iodomethyl)-3a-isopropenyl-6,7-dimethyloctahydro-1H-indene

Synonymous chemical names:
7-(Iodomethyl)-3a-isopropenyl-6,7-dimethyloctahydro-1H-indene

External chemical identifiers:
CID:CID_573073

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Chemical structure information

SMILES:
ICC1(C)C(C)CCC2(C1CCC2)C(=C)C

InChI:
InChI=1S/C15H25I/c1-11(2)15-8-5-6-13(15)14(4,10-16)12(3)7-9-15/h12-13H,1,5-10H2,2-4H3

InChIKey:
FVNJNDVRBRPHIZ-UHFFFAOYSA-N

DeepSMILES:
ICCC)CC)CCCC6CCC5))))C=C)C

Functional groups:
CI, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.32

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Chemical structure download