(9S,9'r)-2,4,4',5,5'-Pentahydroxy-2',7-Dimethyl-9,9'-Bianthracene-10,10'(9H,9'h)-Dione
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL518071 | |
| PubChem: | 44567184 | |
| IUPAC: | (10S)-10-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one | |
| Standard InChI: | InChI=1S/C30H22O7/c1-12-6-16-23(15-4-3-5-19(32)25(15)29(36)26(16)20(33)8-12)24-17-7-13(2)9-21(34)27(17)30(37)28-18(24)10-14(31)11-22(28)35/h3-11,23-24,31-35H,1-2H3/t23-,24+/m1/s1 | |
| Standard InChI Key: | VUUFXTUVVIEIMH-RPWUZVMVSA-N | |
| SMILES: | Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cccc(c3C(=O)c3c1cc(C)cc3O)O)c1c(C2=O)c(O)cc(c1)O | |
Molecular propeties
| ||
| AlogP: | 4.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 5 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 6 | |
| Molecular Weight: | 494.14 | |
| Topological polar surface area: | 135 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|