9(10H)-Acridinone, 1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-
PubChem CID: 5320991
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 114216-93-2, 9(10H)-Acridinone, 1,4,5-trihydroxy-3,6-dimethoxy-10-methyl-, 1,4,5-trihydroxy-3,6-dimethoxy-10-methylacridin-9-one, N-Methyl-1,4,5-trihydroxy-3,6-dimethoxyacridine-9-one, DTXSID50150680 |
|---|---|
| Topological Polar Surface Area | 99.5 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,5-trihydroxy-3,6-dimethoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H15NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VPIBIZOGMALERE-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.001 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.849 |
| Compound Name | 9(10H)-Acridinone, 1,4,5-trihydroxy-3,6-dimethoxy-10-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 317.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 317.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3810761826086955 |
| Inchi | InChI=1S/C16H15NO6/c1-17-12-7(4-5-9(22-2)15(12)20)14(19)11-8(18)6-10(23-3)16(21)13(11)17/h4-6,18,20-21H,1-3H3 |
| Smiles | CN1C2=C(C=CC(=C2O)OC)C(=O)C3=C1C(=C(C=C3O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients