Summary

IMPPAT Phytochemical identifier: IMPHY005397

Phytochemical name: Gingerdione

Synonymous chemical names:
[6]-gingerdione, gingerdione, gingerdione,(6)-, gingerdione,6-

External chemical identifiers:
CID:162952, ChEMBL:CHEMBL2071439, ChEBI:10135, FDASRS:L2L6JCL6YY, SureChEMBL:SCHEMBL13469402

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Chemical structure information

SMILES:
CCCCCC(=O)CC(=O)CCc1ccc(c(c1)OC)O

InChI:
InChI=1S/C17H24O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,20H,3-7,9,12H2,1-2H3

InChIKey:
KMNVXQHNIWUUSE-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CC=O)CCcccccc6)OC)))O

Functional groups:
CC(C)=O, cO, cOC

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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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 1.156

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Chemical structure download