CIRSIMARIN
SMILES | COc1cc2oc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1OC |
InChIKey | RETJLKUBHXTIGH-FZFRBNDOSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 5 |
Rotatable bonds | 6 |
Molecular weight (Da) | 476.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
A1 | AA1R | Rat | Adenosine | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |