2,2'-[1,2-Bis(3,4-Dihydroxyphenyl)-1,2-Ethanedylidene]Bis[6-Hydroxy-3(2H)-Benzofuranone]
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL523383 | |
| PubChem: | 10007411 | |
| IUPAC: | (2Z)-2-[(2Z)-1,2-bis(3,4-dihydroxyphenyl)-2-(6-hydroxy-3-oxo-1-benzofuran-2-ylidene)ethylidene]-6-hydroxy-1-benzofuran-3-one | |
| Standard InChI: | InChI=1S/C30H18O10/c31-15-3-5-17-23(11-15)39-29(27(17)37)25(13-1-7-19(33)21(35)9-13)26(14-2-8-20(34)22(36)10-14)30-28(38)18-6-4-16(32)12-24(18)40-30/h1-12,31-36H/b29-25-,30-26- | |
| Standard InChI Key: | MZVYXDUSVXNKLC-IDDWGTJGSA-N | |
| SMILES: | Oc1ccc2c(c1)O/C(=C(C(=C1/Oc3c(C1=O)ccc(c3)O)c1ccc(c(c1)O)O)/c1ccc(c(c1)O)O)/C2=O | |
Molecular propeties
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| AlogP: | 4.59 | |
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| Hydrogen bonds acceptors: | 10 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 6 | |
| Molecular Weight: | 538.09 | |
| Topological polar surface area: | 174 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0 | |
| Number of carbons: | 30 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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