Summary

IMPPAT Phytochemical identifier: IMPHY012637

Phytochemical name: Bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene-

Synonymous chemical names:
2-isopropyl -5-methyl-9-methylene bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene-bicyclo[4.4.0] dec-1-ene, bicyclo[4.4.0]dec-1-ene, 2-isopropyl-5-methyl-9-methylene, bicyclo[4.4.0]dec-1-ene,2-isopropyl-5-methyl-9-methylene-

External chemical identifiers:
CID:595137, SureChEMBL:SCHEMBL2973018

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Chemical structure information

SMILES:
C=C1CCC2C(=C(CCC2C)C(C)C)C1

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

InChIKey:
FTSINDMZMFBWFS-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC=CCCC6C))))CC)C)))C6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCC2CCCC=C2C1

Scaffold Graph/Node level:
CC1CCC2CCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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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: Guaiane sesquiterpenoids

NP-Likeness score: 2.367

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Chemical structure download