Gravacridondiol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL562500 | |
| PubChem: | 5317836 | |
| IUPAC: | 2-(1,2-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one | |
| Standard InChI: | InChI=1S/C19H19NO5/c1-19(24,9-21)15-7-11-14(25-15)8-13(22)16-17(11)20(2)12-6-4-3-5-10(12)18(16)23/h3-6,8,15,21-22,24H,7,9H2,1-2H3 | |
| Standard InChI Key: | RQAGSTDFTGSIGB-UHFFFAOYSA-N | |
| SMILES: | OCC(C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2)(O)C | |
Molecular propeties
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| AlogP: | 1.44 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 341.13 | |
| Topological polar surface area: | 90.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.316 | |
| Number of carbons: | 19 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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