Heteroartonin A
PubChem CID: 15231526
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| Compound Synonyms | Heteroartonin A, CHEBI:169804, DTXSID401104798, LMPK12110909, 170894-23-2, 2',5,5',7-tetrahydroxy-4'-methoxy-3,3' -diprenylflavone, 2',5,5',7-Tetrahydroxy-4'-methoxy-3,3'-diprenylflavone, 2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one, 2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 2-[2,5-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | ONBLHZQNAGITBB-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| Substituent Name | 3'-prenylated flavone, 3-prenylated flavone, Methoxyflavonoid skeleton, 4p-methoxyflavonoid-skeleton, Hydroxyflavonoid, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 3'-hydroxyflavonoid, Prenylbenzoquinol, Chromone, 1-benzopyran, Methoxyphenol, Benzopyran, Hydroxyquinol derivative, Methoxybenzene, Resorcinol, Phenol ether, Hydroquinone, 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 |
| Synonyms | 2-[2,5-Dihydroxy-4-methoxy-3-(3-methyl-2-butenyl)phenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 2',5,5',7-Tetrahydroxy-4'-methoxy-3,3'-diprenylflavone, Heteroartonin A |
| Heavy Atom Count | 33.0 |
| Compound Name | Heteroartonin A |
| Kingdom | Organic compounds |
| Description | Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroartonin A is found in jackfruit and fruits. |
| Exact Mass | 452.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 452.184 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 452.5 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[2,5-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Flavonoids |
| Inchi | InChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1OC)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)CC=C(C)C)O)C |
| Xlogp | 6.1 |
| Superclass | Phenylpropanoids and polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Flavones |
| Molecular Formula | C26H28O7 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:fooddb_chem_all