Summary

IMPPAT Phytochemical identifier: IMPHY016192

Phytochemical name: Bicyclo[4.4.0]dec-5-ene, 1,5-dimethyl-3-hydroxy-8-(1-methylene-2-hydroxyethyl-1)-

Synonymous chemical names:
1,5-dimethyl-3-hydroxy-8-(1-methylene-2-hydroxyethyl-1)-bicyclo[4.4.0]dec-5-ene

External chemical identifiers:
CID:535386

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Chemical structure information

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

InChI:
InChI=1S/C15H24O2/c1-10-6-13(17)8-15(3)5-4-12(7-14(10)15)11(2)9-16/h12-13,16-17H,2,4-9H2,1,3H3

InChIKey:
BZCYMOOQNNLDTQ-UHFFFAOYSA-N

DeepSMILES:
OCC=C)CCCCC=CC)CCC6)O))))C6))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

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

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Chemical structure download