Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018096

Phytochemical name: 1,4-Methano-1H-indene, octahydro-4-methyl-8-methylene-7-(1-methylethyl)-, [1S-(1α,3aβ,4α,7α,7aβ)]-

Synonymous chemical names:
1,4-Methano-1H-indene, octahydro-4-methyl-8-methylene-7-(1-methylethyl)-, [1S-(1α,3aβ,4α,7α,7aβ)]-

Chemical structure information

SMILES:
CC(C1CCC2(C3C1C(CC3)C2=C)C)C

InChI:
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)10(3)12-5-6-13(15)14(11)12/h9,11-14H,3,5-8H2,1-2,4H3

InChIKey:
VOBBUADSYROGAT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6CCC5))C5=C)))))C)))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCC3C1CCCC23

Scaffold Graph/Node level:
CC1C2CCC3C1CCCC23

Scaffold Graph level:
CC1C2CCC3C1CCCC23

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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: Copacamphane sesquiterpenoids

NP-Likeness score: 2.798

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Chemical structure download