Ginkgotoxin
AlkaPlorer ID: AK011078
Synonym: None
IUPAC Name: 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol
Structure
SMILES: COCC1=C(O)C(C)=NC=C1CO
InChI: InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3
InChIKey: SVINQHQHARVZFF-UHFFFAOYSA-N
Reference
<i>Ginkgo biloba</i> and Ginkgotoxin
PubChem CID: 76581
CAS: 1464-33-1
LOTUS: LTS0260829
SuperNatural Ⅲ: SN0356332
COCONUT: CNP0325342
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ginkgo biloba | Ginkgo | Ginkgoaceae | Ginkgoales | Ginkgoopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 183.207
TPSA？: 62.58
MolLogP？: 0.7343199999999999
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Cavia porcellus | Activity | nan | None | 10.1021/np9005019 |
| Homo sapiens | Glutamate decarboxylase 65 kDa isoform | Activity | nan | None | 10.1021/np9005019 |
| Homo sapiens | Glutamate decarboxylase 67 kDa isoform | Activity | nan | None | 10.1021/np9005019 |
| Homo sapiens | Plasma | Drug uptake | 53.0 | nM | 10.1021/np9005019 |
| Homo sapiens | Pyridoxal kinase | Km | 5000.0 | nM | 10.1021/np9005019 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | LD50 | 30.0 | mg.kg-1 | 10.1021/np9005019 |
| Rattus norvegicus | Plasma | Cp | 1.31 | uM | 10.1021/np9005019 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/np9005019 |
| None | No relevant target | LogP | -0.299 | None | 10.1021/np9005019 |