Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001327

Phytochemical name: Gingerol

Synonymous chemical names:
Gingerol, [6]-gingerol, (+)-6-gingerol, gingerol, 6-gingerol, Gingerol,(6)-, geijerol, Gingerol,6-

External chemical identifiers:
CID:CID_442793, ChEMBL:CHEMBL402978, ChEBI:CHEBI:10136, ZINC:ZINC000001531846, FDASRS:925QK2Z900, SureChEMBL:SCHEMBL32102, MolPort-006-822-484

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Chemical structure information

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

InChI:
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1

InChIKey:
NLDDIKRKFXEWBK-AWEZNQCLSA-N

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

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

Link to spectral information:
MSBNK-RIKEN-PR307288, MSBNK-RIKEN-PR307289, MSBNK-RIKEN-PR307290, MSBNK-RIKEN-PR308731, MSBNK-Univ_Connecticut-CO000211, MSBNK-Univ_Connecticut-CO000214, MSBNK-Univ_Connecticut-CO000213, MSBNK-Univ_Toyama-TY000242, MSBNK-Univ_Connecticut-CO000215, MSBNK-Univ_Toyama-TY000084, MSBNK-RIKEN-PR307287, MSBNK-Univ_Connecticut-CO000212, MSBNK-RIKEN-PR307286, MSBNK-EPA-ENTACT_AGILENT001519, MSBNK-RIKEN-PR307284, MSBNK-RIKEN-PR307285, MSBNK-EPA-ENTACT_AGILENT001517, MSBNK-EPA-ENTACT_AGILENT001518, MSBNK-EPA-ENTACT_AGILENT001520, MSBNK-EPA-ENTACT_AGILENT001521, MSBNK-EPA-ENTACT_AGILENT001516, MSBNK-RIKEN-PR307280, MSBNK-RIKEN-PR307281, MSBNK-RIKEN-PR307282, MSBNK-RIKEN-PR307283, MSBNK-Fac_Eng_Univ_Tokyo-JP007243

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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: 1.476

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Chemical structure download