1,5-Dihydroxy-3,6-dimethoxy-10-methyl-acridin-9-one
PubChem CID: 5494826
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| Compound Synonyms | grandisine I, CHEMBL510049, 1,5-dihydroxy-3,6-dimethoxy-10-methyl-acridin-9-one, 9(10H)-Acridinone, 1,5-dihydroxy-3,6-dimethoxy-10-methyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COcccO)ccc6)nC)ccc6=O))cccc6O))OC |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CCCCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dihydroxy-3,6-dimethoxy-10-methylacridin-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H15NO5 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2ccccc12 |
| Inchi Key | VPMIRWSZFAXDKP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | grandisine i |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, cn(c)C |
| Compound Name | 1,5-Dihydroxy-3,6-dimethoxy-10-methyl-acridin-9-one |
| Exact Mass | 301.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 301.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H15NO5/c1-17-10-6-8(21-2)7-11(18)13(10)15(19)9-4-5-12(22-3)16(20)14(9)17/h4-7,18,20H,1-3H3 |
| Smiles | CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=C(C=C3)OC)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Reference:ISBN:9788185042145