Centaureidin
Representations & DB's id
| ||
| ChEBI: | CHEBI:69356 | |
|---|---|---|
| ChEMBL: | CHEMBL77552 | |
| PubChem: | 5315773 | |
| IUPAC: | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxychromen-4-one | |
| Standard InChI: | InChI=1S/C18H16O8/c1-23-11-5-4-8(6-9(11)19)16-18(25-3)15(22)13-12(26-16)7-10(20)17(24-2)14(13)21/h4-7,19-21H,1-3H3 | |
| Standard InChI Key: | BZXULYMZYPRZOG-UHFFFAOYSA-N | |
| SMILES: | COc1ccc(cc1O)c1oc2cc(O)c(c(c2c(=O)c1OC)O)OC | |
Molecular propeties
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| AlogP: | 2.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 360.08 | |
| Topological polar surface area: | 115 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 18 | |