1,5-Dihydroxy-2,3-Dimethoxy-10-Methyl-9-Acridone
PubChem CID: 14463129
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| Compound Synonyms | 1,5-dihydroxy-2,3-dimethoxy-10-methyl-9-acridone, CHEBI:69045, 1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one, C16H15NO5, CHEMBL1928574, 1,5-dihydroxy-2,3-dimethoxy-10-methyl-acridin-9-one, Q27137386, NCGC00347817-02!1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dihydroxy-2,3-dimethoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C16H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WUPPOLDDVHCHKK-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.651 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.058 |
| Compound Name | 1,5-Dihydroxy-2,3-Dimethoxy-10-Methyl-9-Acridone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 301.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 301.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.529156690909091 |
| Inchi | InChI=1S/C16H15NO5/c1-17-9-7-11(21-2)16(22-3)15(20)12(9)14(19)8-5-4-6-10(18)13(8)17/h4-7,18,20H,1-3H3 |
| Smiles | CN1C2=CC(=C(C(=C2C(=O)C3=C1C(=CC=C3)O)O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassia Singueana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citropsis Articulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Daphne Tangutica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Strychnos Potatorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Vitellaria Paradoxa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all