Summary

IMPPAT Phytochemical identifier: IMPHY017693

Phytochemical name: Menthyl chavicol

Synonymous chemical names:
menthyl chavicol, methhyl chavicol, methil chavicol, methycavicol

External chemical identifiers:
CID:70235324, SureChEMBL:SCHEMBL7945464

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Chemical structure information

SMILES:
C=CCc1ccc(c(c1)C1CC(C)CCC1C(C)C)O

InChI:
InChI=1S/C19H28O/c1-5-6-15-8-10-19(20)18(12-15)17-11-14(4)7-9-16(17)13(2)3/h5,8,10,12-14,16-17,20H,1,6-7,9,11H2,2-4H3

InChIKey:
BOJMMLBUFICTEZ-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6)CCCC)CCC6CC)C)))))))))O

Functional groups:
C=CC, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCCCC2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Cyclohexylphenols

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.288

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Chemical structure download