Skyrin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL472851 | |
| PubChem: | 73071 | |
| IUPAC: | 2,4,5-trihydroxy-7-methyl-1-(2,4,5-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione | |
| Standard InChI: | InChI=1S/C30H18O10/c1-9-3-11-19(13(31)5-9)29(39)23-17(35)7-15(33)21(25(23)27(11)37)22-16(34)8-18(36)24-26(22)28(38)12-4-10(2)6-14(32)20(12)30(24)40/h3-8,31-36H,1-2H3 | |
| Standard InChI Key: | MQSXZQXHIJMNAF-UHFFFAOYSA-N | |
| SMILES: | Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O | |
Molecular propeties
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| AlogP: | 3.75 | |
|---|---|---|
| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 6 | |
| Molecular Weight: | 538.09 | |
| Topological polar surface area: | 190 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.067 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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