Summary

IMPPAT Phytochemical identifier: IMPHY003820

Phytochemical name: Gingerdiol

Synonymous chemical names:
gingediol

External chemical identifiers:
CID:11369949, ChEMBL:CHEMBL2071442, ZINC:ZINC000015256912, FDASRS:4C9F8U79BX, SureChEMBL:SCHEMBL23370835

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Chemical structure information

SMILES:
CCCCC[C@@H](C[C@@H](CCc1ccc(c(c1)OC)O)O)O

InChI:
InChI=1S/C17H28O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14-15,18-20H,3-7,9,12H2,1-2H3/t14-,15+/m0/s1

InChIKey:
QYXKQNMJTHPKBP-LSDHHAIUSA-N

DeepSMILES:
CCCCC[C@@H]C[C@@H]CCcccccc6)OC)))O)))))))O)))O

Functional groups:
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: 1.263

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Chemical structure download