3'-Dimethylallylkievitone
PubChem CID: 480785
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| Compound Synonyms | 3'-Dimethylallylkievitone, 3',8-diprenyldalbergioidin, MLS000697576, SMR000470927, 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone, 5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone, 141846-47-1, 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chroman-4-one, 5,7,2',4'-tetrahydroxy-8,3'-di(gamma,gamma-dimethylallyl)-isoflavanone, 3-Prenylkievitone, cid_480785, CHEMBL1711925, BDBM69610, CHEBI:173269, HMS2268K03, LMPK12050490, AKOS040763437, (+/-)-2',4',5,7-Tetrahydroxy-3',8-diprenylisoflavanone, 3-[2,4-Dihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-5,7-dihydroxy-8-(3-methyl-but-2-enyl)-1-benzopyran-4-one, 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one, 8-(3-methylbut-2-enyl)-3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Description | (±)-2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone is a member of the class of compounds known as 8-prenylated isoflavanones. 8-prenylated isoflavanones are isoflavanones featuring a C5-isoprenoid unit at the 8-position. Thus, (±)-2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone is considered to be a flavonoid lipid molecule (±)-2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (±)-2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone can be found in herbs and spices, pulses, and tea, which makes (±)-2',4',5,7-tetrahydroxy-3',8-diprenylisoflavanone a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 692.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Nih Violation | False |
| Class | Isoflavonoids |
| Xlogp | 6.1 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Isoflavans |
| Molecular Formula | C25H28O6 |
| Inchi Key | FSHPJPOJLGCQOJ-UHFFFAOYSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone |
| Substituent Name | 8-prenylated isoflavanone, 3'-prenylated isoflavanone, Hydroxyisoflavonoid, Isoflavanol, Chromone, 1-benzopyran, Benzopyran, Chromane, Aryl alkyl ketone, Aryl ketone, Resorcinol, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Vinylogous acid, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | 3'-Dimethylallylkievitone |
| Kingdom | Organic compounds |
| Exact Mass | 424.189 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 424.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 424.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C25H28O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)29)18-12-31-25-17(8-6-14(3)4)20(27)11-21(28)22(25)24(18)30/h5-6,9-11,18,26-29H,7-8,12H2,1-4H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1O)C2COC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phaseolus Lunatus (Plant) Rel Props:Source_db:fooddb_chem_all