1-Hydroxy-3,4-dimethoxy-10-methylacridan-9-one
PubChem CID: 5491358
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1-Hydroxy-3,4-dimethoxy-10-methylacridan-9-one, 96935-29-4, DTXSID40242644, 1-Hydroxy-3,4-dimethoxy-N-methylacridone, 1-Hydroxy-3,4-dimethoxy-10-methylacridin-9(10H)-one, 9(10H)-Acridinone, 1-hydroxy-3,4-dimethoxy-10-methyl-, DTXCID70165135 |
|---|---|
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 402.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-3,4-dimethoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H15NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPTMTPTVCVDIMW-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.713 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.491 |
| Compound Name | 1-Hydroxy-3,4-dimethoxy-10-methylacridan-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 285.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 285.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 285.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.672887133333333 |
| Inchi | InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)15(19)13-11(18)8-12(20-2)16(21-3)14(13)17/h4-8,18H,1-3H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C=C3O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients