1-Hydroxy-3-methoxy-10-methylacridone
PubChem CID: 5377412
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| Compound Synonyms | 1-hydroxy-3-methoxy-10-methylacridin-9-one, NSC681019, 1-Hydroxy-3-methoxy-10-methylacridone, 13161-83-6, 1-hydroxy-3-methoxy-n-methylacridone, 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone, 1-HMMA cpd, 1-Hydroxy-3-methoxy-N-methylrutacridone, SCHEMBL424353, CHEMBL1094824, CHEBI:173801, OCUBFJMZYYIVBO-UHFFFAOYSA-N, NSC-681019, NCI60_028892, RD7-5040, 1-Hydroxy-3-methoxy-10-methyl-9-acridanone, 1-hydroxy-3-methoxy-10-methyl-acridin-9-one, 1-Hydroxy-3-methoxy-10-methyl-10-hydroacridin-9-one, 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone #, 1-hydroxy-3-methoxy-10-methyl-9,10-dihydroacridin-9-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COcccO)ccc6)nC)ccc6=O))cccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CCCCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 1-hydroxy-3-methoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H13NO3 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCUBFJMZYYIVBO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.864 |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Logd | 2.648 |
| Synonyms | 1-Hydroxy-3-methoxy-10-methyl-9(10H)-acridinone, 1-Hydroxy-3-methoxy-10-methyl-9-acridanone, 1-Hydroxy-3-methoxy-N-methylacridone, 1-HMMA CPD, 1-hydroxy-3-methoxy-n-methyl-acridone, 1-hydroxy-3-methoxy-n-methylacridone, 1-hydroxy-3-methoxy-n-methylacridrone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, cn(c)C |
| Compound Name | 1-Hydroxy-3-methoxy-10-methylacridone |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 255.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 255.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 255.27 |
| 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 | -4.623555757894737 |
| Inchi | InChI=1S/C15H13NO3/c1-16-11-6-4-3-5-10(11)15(18)14-12(16)7-9(19-2)8-13(14)17/h3-8,17H,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)OC |
| 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 Rosa Transmorrisonensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:ISBN:9788185042084