Kanzonol B
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL561840 | |
| PubChem: | 10881804 | |
| IUPAC: | (E)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one | |
| Standard InChI: | InChI=1S/C20H18O4/c1-20(2)10-9-14-11-13(4-8-19(14)24-20)3-7-17(22)16-6-5-15(21)12-18(16)23/h3-12,21,23H,1-2H3/b7-3+ | |
| Standard InChI Key: | TUHJQMZJOMZXJO-XVNBXDOJSA-N | |
| SMILES: | Oc1ccc(c(c1)O)C(=O)/C=C/c1ccc2c(c1)C=CC(O2)(C)C | |
Molecular propeties
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| AlogP: | 4.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 322.12 | |
| Topological polar surface area: | 66.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |