Dihydrooroxylin A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL253465 | |
| PubChem: | 177032 | |
| IUPAC: | (2S)-5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3/t12-/m0/s1 | |
| Standard InChI Key: | QUAPPCXFYKSDSV-LBPRGKRZSA-N | |
| SMILES: | COc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccccc1 | |
Molecular propeties
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| AlogP: | 2.81 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.08 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.188 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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