7-O-Methyl-Aromadendrin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL491541 | |
| PubChem: | 181132 | |
| IUPAC: | (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one | |
| Standard InChI: | InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16+/m0/s1 | |
| Standard InChI Key: | LZLGHWHSUZVUFZ-JKSUJKDBSA-N | |
| SMILES: | COc1cc2O[C@H](c3ccc(cc3)O)[C@H](C(=O)c2c(c1)O)O | |
Molecular propeties
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| AlogP: | 1.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 302.08 | |
| Topological polar surface area: | 96.2 | |
| 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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