Delphinidin
Representations & DB's id
| ||
| ChEBI: | CHEBI:28436 | |
|---|---|---|
| ChEMBL: | CHEMBL276780 | |
| PubChem: | 128853 | |
| IUPAC: | 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol | |
| Standard InChI: | InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1 | |
| Standard InChI Key: | JKHRCGUTYDNCLE-UHFFFAOYSA-O | |
| SMILES: | Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O | |
Molecular propeties
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| AlogP: | 2.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 304.06 | |
| Topological polar surface area: | 122 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |