Isoangustone A
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3809403 | |
| PubChem: | 21591148 | |
| IUPAC: | 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one | |
| Standard InChI: | InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3 | |
| Standard InChI Key: | QNLGNISMYMFVHP-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(cc(c1O)O)c1coc2c(c1=O)c(O)c(c(c2)O)CC=C(C)C)C | |
Molecular propeties
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| AlogP: | 5.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 3 | |
| Molecular Weight: | 422.17 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.24 | |
| Number of carbons: | 25 | |