2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one
PubChem CID: 131752200
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| Compound Synonyms | 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one, 23806-62-4, DTXSID301125614 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Description | Isolated from Artocarpus heterophyllus (jackfruit). Oxidihydroartocarpesin is found in jackfruit and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 587.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)chromen-4-one |
| Nih Violation | False |
| Class | Flavonoids |
| Xlogp | 1.9 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Flavones |
| Molecular Formula | C20H20O7 |
| Inchi Key | HRSXJJYSAIZMGH-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | Oxidihydroartocarpesin |
| Substituent Name | 6-prenylated flavone, Hydroxyflavonoid, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, Chromone, 1-benzopyran, Benzopyran, Resorcinol, Pyranone, Phenol, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Tertiary alcohol, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 2-(2,4-Dihydroxyphenyl)-5,7-dihydroxy-6-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one |
| Kingdom | Organic compounds |
| Exact Mass | 372.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 372.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C20H20O7/c1-20(2,26)6-5-12-14(23)8-17-18(19(12)25)15(24)9-16(27-17)11-4-3-10(21)7-13(11)22/h3-4,7-9,21-23,25-26H,5-6H2,1-2H3 |
| Smiles | CC(C)(CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 6-prenylated flavones |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:fooddb_chem_all