Pinobaksin
Representations & DB's id
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| ChEBI: | CHEBI:28103 | |
|---|---|---|
| ChEMBL: | CHEMBL608410 | |
| PubChem: | 73202 | |
| IUPAC: | (2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1 | |
| Standard InChI Key: | SUYJZKRQHBQNCA-LSDHHAIUSA-N | |
| SMILES: | Oc1cc2O[C@H](c3ccccc3)[C@H](C(=O)c2c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 272.07 | |
| Topological polar surface area: | 87 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.133 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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