Artocarpetin B
PubChem CID: 15231525
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Artocarpetin B, CHEBI:191800, DTXSID001115569, LMPK12110908, 170894-22-1, 4',5-Dihydroxy-2',7-dimethoxy-8-prenylflavone, 8-(gamma,gamma-dimethylallyl)-5,4'-dihydroxy-7,2'-dimethoxyflavone, 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one, 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Description | Constituent of Artocarpus heterophyllus (jackfruit). Artocarpetin B is found in jackfruit and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 623.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 4.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavones |
| Molecular Formula | C22H22O6 |
| Inchi Key | AGQBGLZQKDLJAR-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 4',5-Dihydroxy-2',7-dimethoxy-8-prenylflavone, 5-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, Artocarpetin B |
| Substituent Name | 8-prenylated flavone, Methoxyflavonoid skeleton, 7-methoxyflavonoid-skeleton, 2p-methoxyflavonoid-skeleton, Hydroxyflavonoid, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Methoxybenzene, Phenol ether, Anisole, Pyranone, Phenol, Alkyl aryl ether, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Compound Name | Artocarpetin B |
| Kingdom | Organic compounds |
| Exact Mass | 382.142 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 382.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C22H22O6/c1-12(2)5-7-15-19(27-4)10-16(24)21-17(25)11-20(28-22(15)21)14-8-6-13(23)9-18(14)26-3/h5-6,8-11,23-24H,7H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)OC)O)OC)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:fooddb_chem_all