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name Structure Reference Source Properties Activities Metabolism

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol

AlkaPlorer ID: AK165179

Synonym: None

IUPAC Name: 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol

Structure

SMILES: CC1=NC=C(CO)C(C)=C1O

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InChI: InChI=1S/C8H11NO2/c1-5-7(4-10)3-9-6(2)8(5)11/h3,10-11H,4H2,1-2H3

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InChIKey: KKOWAYISKWGDBG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ginkgo biloba Ginkgo Ginkgoaceae Ginkgoales Ginkgoopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 153.18099999999998

TPSA？: 53.35000000000001

MolLogP？: 0.8963399999999997

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus Pyridoxine-5'-phosphate oxidase GI nan None 10.1021/jm00214a022
Mus musculus Pyridoxine-5'-phosphate oxidase ID50 6.8 10'-8M 10.1021/jm00214a022
Mus musculus TA3 ID50 6.8 10'-8M 10.1021/jm00211a001
Mus musculus TA3 Inhibition nan % 10.1021/jm00211a001

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015291 Cc1ncc(CO)c(C)c1O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>Cc1ncc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c1O enzymemap_34467
AKRT015292 Cc1ncc(CO)c(C)c1O>>Cc1ncc(COP(=O)(O)O)c(C)c1O enzymemap_44546
AKRT015316 Cc1ncc(COP(=O)(O)O)c(C)c1O>>Cc1ncc(CO)c(C)c1O enzymemap_56929