Summary

IMPPAT Phytochemical identifier: IMPHY000047

Phytochemical name: 6-Hydroxyshogaol

Synonymous chemical names:
6-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-4-decen-3-one

External chemical identifiers:
CID:11140882, ChEBI:172141

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Chemical structure information

SMILES:
CCCCC(/C=C/C(=O)CCc1ccc(c(c1)OC)O)O

InChI:
InChI=1S/C17H24O4/c1-3-4-5-14(18)9-10-15(19)8-6-13-7-11-16(20)17(12-13)21-2/h7,9-12,14,18,20H,3-6,8H2,1-2H3/b10-9+

InChIKey:
SEWFXECKZBLANJ-MDZDMXLPSA-N

DeepSMILES:
CCCCC/C=C/C=O)CCcccccc6)OC)))O))))))))))O

Functional groups:
C/C=C/C(C)=O, CO, 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: 1.636

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Chemical structure download