Evoxanthine
PubChem CID: 348484
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| Compound Synonyms | EVOXANTHINE, 477-82-7, NSC407812, 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one, MLS003373786, 11-Methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10(5H)-one, 11-methoxy-5-methyl-1,3-dioxolo[4,5-b]acridin-10(5H)-one, 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 11-methoxy-5-methyl-, Evoxanthin, DTXSID00324839, ULBVHYNIDQSMFC-UHFFFAOYSA-N, HY-N8364, AKOS027323264, NSC-407812, SMR002048583, CS-0143577, 1,5-b]acridin-10(5H)-one, 11-methoxy-5-methyl-, 11-Methoxy-5-methyl[1,3]dioxolo[4,5-b]acridin-10(5H)-one #, 11-METHOXY-5-METHYL-2H,5H,10H-[1,3]DIOXOLO[4,5-B]ACRIDIN-10-ONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 48.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CC3CCCC3CC21 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | COccOCOc5ccc9c=O)ccn6C))cccc6 |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2CC3OCOC3CC21 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H13NO4 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2cc3c(cc12)OCO3 |
| Inchi Key | ULBVHYNIDQSMFC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | evoxanthine |
| Esol Class | Soluble |
| Functional Groups | c1cOCO1, c=O, cOC, cn(c)C |
| Compound Name | Evoxanthine |
| Exact Mass | 283.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 283.28 |
| 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/C16H13NO4/c1-17-10-6-4-3-5-9(10)14(18)13-11(17)7-12-15(16(13)19-2)21-8-20-12/h3-7H,8H2,1-2H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C(C4=C(C=C31)OCO4)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 Ruta Graveolens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17109253 - 2. Outgoing r'ship
FOUND_INto/from Tetradium Fraxinifolium (Plant) Rel Props:Reference:ISBN:9770972795006 - 3. Outgoing r'ship
FOUND_INto/from Vepris Bilocularis (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042053