Summary

IMPPAT Phytochemical identifier: IMPHY016533

Phytochemical name: Bicyclo[4.4.0]dec-2-ene-4-ol, 2-methyl-9-(prop-1-en-3-ol-2-yl)-

Synonymous chemical names:
bicyclo[4,4,0]dec-2-ene-4-ol,2-methyl-9-[prop-1-en-3-ol-2-yl]

External chemical identifiers:
CID:535256

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Chemical structure information

SMILES:
OCC(=C)C1CCC2(C(C1)C(=CC(C2)O)C)C

InChI:
InChI=1S/C15H24O2/c1-10-6-13(17)8-15(3)5-4-12(7-14(10)15)11(2)9-16/h6,12-14,16-17H,2,4-5,7-9H2,1,3H3

InChIKey:
JPHVROHPIMQMJI-UHFFFAOYSA-N

DeepSMILES:
OCC=C)CCCCCC6)C=CCC6)O)))C)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.257

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Chemical structure download