Summary

IMPPAT Phytochemical identifier: IMPHY015993

Phytochemical name: (-)-gamma-Curcumen-15-al

Synonymous chemical names:
(-)-γ-curcumen-15-al

External chemical identifiers:
CID:91747467

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Chemical structure information

SMILES:
O=CC1=CC=C(CC1)C(CCC=C(C)C)C

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

InChIKey:
IAYOZXCTYXYCHP-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=CCC6))CCCC=CC)C)))))C

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

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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: 2.792

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Chemical structure download