1-Hydroxy-10-methylacridone
PubChem CID: 5376484
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| Compound Synonyms | 16584-54-6, 1-hydroxy-10-methylacridone, 1-hydroxy-N-methylacridone, 1-Hydroxy-10-methylacridin-9(10H)-one, 1-hydroxy-10-methylacridin-9-one, 1-Hydroxy-10-methyl-9(10H)-acridinone, 1-HYDROXY-10-METHYL-10H-ACRIDIN-9-ONE, 1-HYDROXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE, 9(10H)-Acridinone, 1-hydroxy-10-methyl-, MFCD01871520, 1-Hydrxy-N-methylacridon, 52B4LWQ6VU, MLS000755253, SCHEMBL9352178, CHEMBL1288799, DTXSID40418786, CHEBI:178584, NHYDBJFGZCQFEO-UHFFFAOYSA-N, REGID_for_CID_5376484, HMS2662F10, HY-N9147, 1-hydroxy-10-methyl-acridin-9-one, 10-Methyl-1-oxidanyl-acridin-9-one, 9-Acridanone, 1-hydroxy-10-methyl-, AKOS015992992, DA-49173, PD095799, RD6-5071, SMR000338128, 1-Hydroxy-10-methyl-10-hydroacridin-9-one, 1-Hydroxy-10-methyl-9(10H)-acridinone #, MLS000755253-02, 5P-071, InChI=1/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | Cncccccc6c=O)cc%10cccc6O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Quinolines and derivatives |
| Description | Alkaloid from the roots of Ruta graveolens (rue)and is also isolated from the callus cultures obtained from the meristematic cells of Ruta graveolens. 1-Hydroxy-10-methylacridone is found in herbs and spices. |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CCCCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P42858, P10636, Q8IUX4, n.a. |
| Iupac Name | 1-hydroxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Target Id | NPT1197, NPT51 |
| Xlogp | 3.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H11NO2 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NHYDBJFGZCQFEO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0714285714285714 |
| Logs | -3.71 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.415 |
| Synonyms | 1-Hydroxy-10-methylacridone, 1-Hydroxy-N-methylacridone, 1-Hydroxy-10-methyl-9,10-dihydroacrid-9-one, 1-hydroxy-10-methyl-acridin-9-(10h)-one, 1-hydroxy-10-methylacridin-9(10h)-one, 1-hydroxy-n-methylacridone |
| Substituent Name | Acridone, Dihydroquinolone, Dihydroquinoline, Benzenoid, Pyridine, Heteroaromatic compound, Vinylogous amide, Vinylogous acid, Azacycle, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Aromatic heteropolycyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cn(c)C |
| Compound Name | 1-Hydroxy-10-methylacridone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 225.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -4.580193564705882 |
| Inchi | InChI=1S/C14H11NO2/c1-15-10-6-3-2-5-9(10)14(17)13-11(15)7-4-8-12(13)16/h2-8,16H,1H3 |
| Smiles | CN1C2=C(C(=CC=C2)O)C(=O)C3=CC=CC=C31 |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acridones |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Boenninghausenia Albiflora (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Ruta Chalepensis (Plant) Rel Props:Reference:ISBN:9788172363093 - 3. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Thamnosma Rhodesica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all