Summary

IMPPAT Phytochemical identifier: IMPHY013543

Phytochemical name: (4S)-Dihydrocurcumenone

Synonymous chemical names:
dihydrocurcumenone

External chemical identifiers:
CID:78178011, ChEBI:173705

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Chemical structure information

SMILES:
CC(CCC1C2C1(C)CC(=O)C(=C(C)C)C2)O

InChI:
InChI=1S/C15H24O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h10,12-13,16H,5-8H2,1-4H3

InChIKey:
OQZCUYXRSFWCJU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC3C)CC=O)C=CC)C))C6)))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CC2CC1=O

Scaffold Graph/Node level:
CC1CC2CC2CC1O

Scaffold Graph level:
CC1CC2CC2CC1C

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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: Carabrane sesquiterpenoids

NP-Likeness score: 3.016

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Chemical structure download