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 |
| Heavy Atom Count | 33.0 |
| Description | Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroartonin A is found in jackfruit and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Database Name | fooddb_chem_all;pubchem |
| 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 |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 6.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavones |
| Molecular Formula | C26H28O7 |
| Inchi Key | ONBLHZQNAGITBB-UHFFFAOYSA-N |
| Rotatable Bond Count | 6.0 |
| 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 |
| 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 |
| Compound Name | Heteroartonin A |
| Kingdom | Organic compounds |
| Exact Mass | 452.184 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 452.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 452.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| 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 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:fooddb_chem_all