Summary

IMPPAT Phytochemical identifier: IMPHY000073

Phytochemical name: 2-Hepten-4-one, 6-(2-hydroxy-4-methylphenyl)-2-methyl-

Synonymous chemical names:
turmeronol b

External chemical identifiers:
CID:10955433, SureChEMBL:SCHEMBL6422167

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Chemical structure information

SMILES:
CC(=CC(=O)CC(c1ccc(cc1O)C)C)C

InChI:
InChI=1S/C15H20O2/c1-10(2)7-13(16)9-12(4)14-6-5-11(3)8-15(14)17/h5-8,12,17H,9H2,1-4H3

InChIKey:
WYIJOOQDLOBLCP-UHFFFAOYSA-N

DeepSMILES:
CC=CC=O)CCcccccc6O)))C)))))C)))))C

Functional groups:
CC(=O)C=C(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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 1.23

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Chemical structure download