Summary

IMPPAT Phytochemical identifier: IMPHY017955

Phytochemical name: 4-Isopropyl-2-methyl (=isocarvacrol)

Synonymous chemical names:
4-isopropyl-2-methyl (=isocarvacrol)

Chemical structure information

SMILES:
CC(c1ccc(c(c1)C)O)C

InChI:
InChI=1S/C10H14O/c1-7(2)9-4-5-10(11)8(3)6-9/h4-7,11H,1-3H3

InChIKey:
WYXXLXHHWYNKJF-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6)C))O)))))C

Functional groups:
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: Cumenes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids

NP-Likeness score: 0.267

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Chemical structure download