Xanthevodine
PubChem CID: 68064
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | XANTHEVODINE, 477-78-1, OO4OI3P3HY, 4,11-dimethoxy-5H-[1,3]dioxolo[4,5-b]acridin-10-one, UNII-OO4OI3P3HY, 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 4,11-dimethoxy-, NSC 94652, NSC-94652, DTXSID90197251, NSC94652, 1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-, 1,3-DIOXOLO(4,5-B)ACRIDAN-10-ONE, 4,11-DIMETHOXY-, 4,11-DIMETHOXY-1,3-DIOXOLO(4,5-B)ACRIDIN-10(5H)-ONE, 4,11-dimethoxy-5H-(1,3)dioxolo(4,5-b)acridin-10-one, DTXCID00119742, 1,3-Dioxolo[4,5-b]acridin-10 (5H)-one, 4,11-dimethoxy-, DS-008364, 1,5-b]acridin-10(5H)-one, 4,11-dimethoxy-, 4,11-Dimethoxy[1,3]dioxolo[4,5-b]acridin-10(5H)-one #, 1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-(8CI), 1,3-Dioxolo(4,5-b)acridin-10(5H)-one, 4,11-dimethoxy-(8CI)(9CI) |
|---|---|
| Topological Polar Surface Area | 66.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 444.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,11-dimethoxy-5H-[1,3]dioxolo[4,5-b]acridin-10-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Is Pains | False |
| Molecular Formula | C16H13NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XKWQECWFQVTROA-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Xanthevodine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 299.079 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 299.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 299.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5292574909090915 |
| Inchi | InChI=1S/C16H13NO5/c1-19-13-10-11(14(20-2)16-15(13)21-7-22-16)17-9-6-4-3-5-8(9)12(10)18/h3-6H,7H2,1-2H3,(H,17,18) |
| Smiles | COC1=C2C(=C(C3=C1C(=O)C4=CC=CC=C4N3)OC)OCO2 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Limonium Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients