Summary

IMPPAT Phytochemical identifier: IMPHY013998

Phytochemical name: Bicyclo[3.1.0]hexane, 1-methyl-6-(1-methylethylidene)-

Synonymous chemical names:
1-methyl-6-isopropylidene-bicyclo[3_1_0]hexane, bicyclo (3.1.0) hexane, 6-isopropylidene-1-methyl

External chemical identifiers:
CID:578236, SureChEMBL:SCHEMBL4890011

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Chemical structure information

SMILES:
CC(=C1C2C1(C)CCC2)C

InChI:
InChI=1S/C10H16/c1-7(2)9-8-5-4-6-10(8,9)3/h8H,4-6H2,1-3H3

InChIKey:
CSIZHOMQBOGEAV-UHFFFAOYSA-N

DeepSMILES:
CC=CCC3C)CCC5))))))C

Functional groups:
CC(C)=C1CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CCCC12

Scaffold Graph/Node level:
CC1C2CCCC12

Scaffold Graph level:
CC1C2CCCC12

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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: Monoterpenoids

NP-Likeness score: 1.972

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Chemical structure download