Summary

IMPPAT Phytochemical identifier: IMPHY006542

Phytochemical name: 8,9-Dehydrothymol

Synonymous chemical names:
8,9-dehydrothymol, 89-dehydrothymol

External chemical identifiers:
CID:6429037, SureChEMBL:SCHEMBL686122

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Chemical structure information

SMILES:
Cc1ccc(c(c1)O)C(=C)C

InChI:
InChI=1S/C10H12O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-6,11H,1H2,2-3H3

InChIKey:
IHWFPRKZRRGTTI-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)O))C=C)C

Functional groups:
cC(=C)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenylpropenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.542

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Chemical structure download