3,3'-Di-O-methylellagic acid
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL487203 | |
| PubChem: | 5488919 | |
| IUPAC: | 6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione | |
| Standard InChI: | InChI=1S/C16H10O8/c1-21-11-7(17)3-5-9-10-6(15(19)23-13(9)11)4-8(18)12(22-2)14(10)24-16(5)20/h3-4,17-18H,1-2H3 | |
| Standard InChI Key: | KLAGYIBJNXLDTL-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc2c3c1oc(=O)c1c3c(oc2=O)c(c(c1)O)OC | |
Molecular propeties
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| AlogP: | 1.92 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 330.04 | |
| Topological polar surface area: | 112 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 16 | |