Summary

IMPPAT Phytochemical identifier: IMPHY017845

Phytochemical name: gamma-Curcumenal

Synonymous chemical names:
γ-curcumenal

External chemical identifiers:
CID:91747911

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Chemical structure information

SMILES:
CC(C1=CC=C(CC1)C)CC/C=C(/C=O)C

InChI:
InChI=1S/C15H22O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h5,7,9,11,14H,4,6,8,10H2,1-3H3/b13-5+

InChIKey:
ZYTMEMGOUFSSQS-WLRTZDKTSA-N

DeepSMILES:
CCC=CC=CCC6))C)))))CC/C=C/C=O))C

Functional groups:
C/C=C(C)C=O, CC1=CC=C(C)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

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: 3.085

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Chemical structure download