1,3-dihydroxy-N-methylacridone
PubChem CID: 5282066
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| Compound Synonyms | 1,3-dihydroxy-N-methylacridone, 28333-02-0, 1,3-Dihydroxy-10-methylacridone, CHEBI:30306, 9(10H)-Acridinone, 1,3-dihydroxy-10-methyl-, 1,3-DIHYDROXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE, 1,3-dihydroxy-10-methylacridin-9-one, 9-Acridanone, 1,3-dihydroxy-10-methyl-, 1,3-dihydroxy-10-methylacridin-9(10H)-one, CHEMBL1288777, DTXSID80951026, AKOS022661248, AK-693/40962732, Q27104124 |
|---|---|
| Topological Polar Surface Area | 60.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Description | 1,3-dihydroxy-n-methylacridone is a member of the class of compounds known as acridones. Acridones are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety. 1,3-dihydroxy-n-methylacridone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1,3-dihydroxy-n-methylacridone can be found in a number of food items such as canada blueberry, italian oregano, cashew nut, and pepper (c. annuum), which makes 1,3-dihydroxy-n-methylacridone a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dihydroxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GDALETGZDYOOGB-UHFFFAOYSA-N |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.593 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.206 |
| Compound Name | 1,3-dihydroxy-N-methylacridone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 241.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.424980755555556 |
| Inchi | InChI=1S/C14H11NO3/c1-15-10-5-3-2-4-9(10)14(18)13-11(15)6-8(16)7-12(13)17/h2-7,16-17H,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anagallis Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Uncaria Perrottetii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all