theaflavin-3′-O-gallate [8275]
theaflavin-3′-O-gallate
| SMILES |
O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(=O)c2c(O)c(O)cc([C@H]3Oc4cc(O)cc(O)c4C[C@H]3O)c2c1)c1cc(O)c(O)c(O)c1 |
| InChIKey |
KMJPKUVSXFVQGZ-WQLSNUALSA-N |
Chemical Properties
| Hydrogen bond acceptors |
16 |
| Hydrogen bond donors |
11 |
| Rotatable bonds |
4 |
| Log P |
3.195 |
| Molecular weight (Da) |
716.1 |
| 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.