Evoxanthidine
PubChem CID: 442899
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| Compound Synonyms | Evoxanthidine, 668-35-9, C10668, 11-methoxy-5H-[1,3]dioxolo[4,5-b]acridin-10-one, 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 11-methoxy-, AC1L9DLT, CTK8J9393, CHEBI:4951, DTXSID90331996, HHCAZEOWGVDROC-UHFFFAOYSA-N, Q27106587, 11-Methoxy[1,3]dioxolo[4,5-b]acridin-10(5H)-one # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 56.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CC3CCCC3CC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COccOCOc5ccc9c=O)cc[nH]6)cccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CC3OCOC3CC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methoxy-5H-[1,3]dioxolo[4,5-b]acridin-10-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H11NO4 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2cc3c(cc12)OCO3 |
| Inchi Key | HHCAZEOWGVDROC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | evoxanthidine |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, cOC, c[nH]c |
| Compound Name | Evoxanthidine |
| Exact Mass | 269.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 269.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 269.25 |
| 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/C15H11NO4/c1-18-15-12-10(6-11-14(15)20-7-19-11)16-9-5-3-2-4-8(9)13(12)17/h2-6H,7H2,1H3,(H,16,17) |
| Smiles | COC1=C2C(=CC3=C1OCO3)NC4=CC=CC=C4C2=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
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FOUND_INto/from Tetradium Fraxinifolium (Plant) Rel Props:Reference:ISBN:9770972795006