6-Deoxyjacareubin
Representations & DB's id
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| ChEBI: | CHEBI:2183 | |
|---|---|---|
| ChEMBL: | CHEMBL457949 | |
| PubChem: | 5281629 | |
| IUPAC: | 5,10-dihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one | |
| Standard InChI: | InChI=1S/C18H14O5/c1-18(2)7-6-9-12(23-18)8-13-14(15(9)20)16(21)10-4-3-5-11(19)17(10)22-13/h3-8,19-20H,1-2H3 | |
| Standard InChI Key: | NHNIESSJWQBRJW-UHFFFAOYSA-N | |
| SMILES: | Oc1c2C=CC(Oc2cc2c1c(=O)c1c(o2)c(O)ccc1)(C)C | |
Molecular propeties
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| AlogP: | 3.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 310.08 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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