Cardamomin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL378104 | |
| PubChem: | 641785 | |
| IUPAC: | (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one | |
| Standard InChI: | InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+ | |
| Standard InChI Key: | NYSZJNUIVUBQMM-BQYQJAHWSA-N | |
| SMILES: | COc1cc(O)cc(c1C(=O)/C=C/c1ccccc1)O | |
Molecular propeties
| ||
| AlogP: | 3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 270.09 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.062 | |
| Number of carbons: | 16 | |