Desacetylcinobufotalin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465444 | |
| PubChem: | 15513544 | |
| IUPAC: | ||
| Standard InChI: | InChI=1S/C24H32O6/c1-21-8-5-14(25)11-23(21,28)10-7-16-15(21)6-9-22(2)18(13-3-4-17(26)29-12-13)19(27)20-24(16,22)30-20/h3-4,12,14-16,18-20,25,27-28H,5-11H2,1-2H3/t14-,15-,16+,18-,19+,20+,21+,22+,23-,24+/m0/s1 | |
| Standard InChI Key: | FRYICJTUIXEEGK-NNWVIVGYSA-N | |
| SMILES: | O[C@H]1CC[C@]2([C@](C1)(O)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3[C@@H]([C@@H]2c1ccc(=O)oc1)O)C)C | |
Molecular propeties
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| AlogP: | 2.34 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 6 | |
| Molecular Weight: | 416.22 | |
| Topological polar surface area: | 99.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.792 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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