Gravacridondiolmonomethyl Ether
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL560820 | |
| PubChem: | 5317837 | |
| IUPAC: | 5-hydroxy-2-(2-hydroxy-1-methoxypropan-2-yl)-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one | |
| Standard InChI: | InChI=1S/C20H21NO5/c1-20(24,10-25-3)16-8-12-15(26-16)9-14(22)17-18(12)21(2)13-7-5-4-6-11(13)19(17)23/h4-7,9,16,22,24H,8,10H2,1-3H3 | |
| Standard InChI Key: | YYTVGIBSAJVHGD-UHFFFAOYSA-N | |
| SMILES: | COCC(C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2)(O)C | |
Molecular propeties
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| AlogP: | 2.1 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 355.14 | |
| Topological polar surface area: | 79.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.35 | |
| Number of carbons: | 20 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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