Licoricidin
Representations & DB's id
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| ChEBI: | CHEBI:69082 | |
|---|---|---|
| ChEMBL: | CHEMBL1929043 | |
| PubChem: | 480865 | |
| IUPAC: | 4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)29)17-12-21-24(31-14-17)13-23(28)20(26(21)30-5)9-7-16(3)4/h6-7,10-11,13,17,27-29H,8-9,12,14H2,1-5H3/t17-/m0/s1 | |
| Standard InChI Key: | GBRZTUJCDFSIHM-KRWDZBQOSA-N | |
| SMILES: | COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)c1ccc(c(c1O)CC=C(C)C)O | |
Molecular propeties
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| AlogP: | 5.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 424.22 | |
| Topological polar surface area: | 79.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.385 | |
| Number of carbons: | 26 | |