Glyfoline
PubChem CID: 5480208
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| Compound Synonyms | Glyfoline, 82354-35-6, 1,6-Dihydroxy-10-methyl-2,3,4,5-tetramethoxyacridin-9-one, 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one, DTXSID50231706, 9(10H)-Acridinone, 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methyl-, 1,6-Dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9(10H)-one, CHEMBL88259, SCHEMBL9348448, DTXCID40154197, 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methyl-acridin-9-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 97.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2CC2CCCCC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COccOC))cO)ccc6OC)))nC)ccc6=O))cccc6OC)))O |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CCCCC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H19NO7 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2ccccc12 |
| Inchi Key | IHSANOPPEBGTGL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | glyfoline |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cOC, cn(c)C |
| Compound Name | Glyfoline |
| Exact Mass | 361.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.116 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 361.3 |
| 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/C18H19NO7/c1-19-11-8(6-7-9(20)15(11)23-2)13(21)10-12(19)16(24-3)18(26-5)17(25-4)14(10)22/h6-7,20,22H,1-5H3 |
| Smiles | CN1C2=C(C=CC(=C2OC)O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC |
| 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 Glycosmis Parviflora (Plant) Rel Props:Reference:ISBN:9788185042145