Buntanine
PubChem CID: 5281838
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| Compound Synonyms | Buntanine, 119116-85-7, 1,3,6-trihydroxy-5-methoxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one, CHEBI:3214, MEGxp0_001428, DTXSID80415198, Q27105995, 1,3,6-Trihydroxy-5-methoxy-10-methyl-2-prenylacridone, 1,3,6-TRIHYDROXY-5-METHOXY-10-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-9,10-DIHYDROACRIDIN-9-ONE |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | XUUGIWDILRFFER-UHFFFAOYSA-N |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,3,6-Trihydroxy-5-methoxy-10-methyl-2-prenylacridone, Buntanine |
| Heavy Atom Count | 26.0 |
| Compound Name | Buntanine |
| Description | Alkaloid from the root bark of Citrus grandis (pummelo). Buntanine is found in pummelo and citrus. |
| Exact Mass | 355.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.142 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 560.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 355.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,6-trihydroxy-5-methoxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H21NO5/c1-10(2)5-6-11-15(23)9-13-16(18(11)24)19(25)12-7-8-14(22)20(26-4)17(12)21(13)3/h5,7-9,22-24H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(N2C)C(=C(C=C3)O)OC)O)C |
| Xlogp | 4.5 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H21NO5 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Grandis (Plant) Rel Props:Source_db:fooddb_chem_all