malvidin-3-glucoside [4989]
malvidin-3-glucoside
| SMILES |
COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O |
| InChIKey |
PXUQTDZNOHRWLI-OXUVVOBNSA-O |
Chemical Properties
| Hydrogen bond acceptors |
11 |
| Hydrogen bond donors |
7 |
| Rotatable bonds |
6 |
| Log P |
0.694 |
| Molecular weight (Da) |
493.1 |
| Stereochemistry info |
full |
Bioactivities
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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| Receptor |
Activity |
Source |
| Protein |
Gene |
Species |
Family |
Class |
Type |
Min |
Avg |
Max |
Database |
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Drug properties
| Molecular type |
Small molecule |
| Physiological/Surrogate |
Surrogate |
| Approved drug |
No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Compound is not listed as a drug.