5,7-Dihydroxyisoflavone
PubChem CID: 5377381
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| Compound Synonyms | 5,7-Dihydroxyisoflavone, 4044-00-2, 5,7-dihydroxy-3-phenylchromen-4-one, 5,7-Dihydroxy-3-phenyl-4H-chromen-4-one, Isoflavone, 5,7-dihydroxy-, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-phenyl-, 2-[(2,3-dimethylphenyl)amino]-benzoic acid, 2-((2,3-Dimethylphenyl)amino)-Benzoic acid, Contraflam, Pinalgesic, Ponalgic, ApoMefenamic, Dysman, NuMefenamic, Ponmel, Ponsyl, Mefac, Mefic, Apo Mefenamic, Apo-Mefenamic, Nu Mefenamic, Nu-Mefenamic, Forte, Ponstan, KBio3_002307, Acid, Mefenaminic, PMS Mefenamic Acid, PMS-Mefenamic Acid, Spectrum_000544, SpecPlus_000102, Spectrum3_001334, Spectrum4_001587, Spectrum5_000274, AT3TWT83XW, APS Brand of Mefenamic Acid, BSPBio_003087, KBioGR_002174, KBioSS_001024, SPECTRUM240565, Elan Brand of Mefenamic Acid, Rowa Brand of Mefenamic Acid, DivK1c_006198, Apotex Brand of Mefenamic Acid, N-2,3-Xylyl-Anthranilic acid, Pfizer Brand of Mefenamic Acid, SCHEMBL1586459, Antigen Brand of Mefenamic Acid, CHEMBL1488393, Clonmel Brand of Mefenamic Acid, Chemidex Brand of Mefenamic Acid, KBio1_001142, KBio2_001024, KBio2_003592, KBio2_006160, Pinewood Brand of Mefenamic Acid, DTXSID80418801, n-(2,3-xylyl)-anthranilic acid, Ashbourne Brand of Mefenamic Acid, CHEBI:174348, Nu Pharm Brand of Mefenamic Acid, Nu-Pharm Brand of Mefenamic Acid, PJJGZPJJTHBVMX-UHFFFAOYSA-N, Mefenamic acid (JP15/USP/INN), Farmasierra Brand of Mefenamic Acid, Parke Davis Brand of Mefenamic Acid, BBL036453, CCG-38716, LMPK12050160, STL559003, Pharmascience Brand of Mefenamic Acid, AKOS005258612, First Horizon Brand of Mefenamic Acid, Mefenamic acid [USAN:INN:BAN:JAN], FD66334, SDCCGMLS-0066480.P001, Warner Lambert Brand of Mefenamic Acid, Warner-Lambert Brand of Mefenamic Acid, 5,7-Dihydroxy-3-phenyl-chromen-4-one, NCGC00095547-01, NCGC00095547-02, NCGC00095547-03, NCGC00178305-01, N-(2, 3-Dimethylphenyl)anthranilic acid, VS-13495, 2-(2,3-Dimethylphenyl)amino-Benzoic acid, 5,7-Bis(oxidanyl)-3-phenyl-chromen-4-one, CS-0320129, 5,7-Dihydroxy-3-phenyl-4H-chromen-4-one #, 2',3'-Dimethyl-2-Diphenylaminecarboxylic acid, 5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, AC-542/21092024, AE-848/34953026, 5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, 9CI |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CCC1C1CCCCC1 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | OcccO)ccc6)occc6=O))cccccc6 |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Isoflavonoids |
| Description | Isolated from hydrolysed flour of Arachis hypogaea (peanut). 5,7-Dihydroxyisoflavone is found in peanut and nuts. |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2CCCCC21 |
| Classyfire Subclass | Isoflav-2-enes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309 |
| Iupac Name | 5,7-dihydroxy-3-phenylchromen-4-one |
| Class | Isoflavonoids |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.0 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Isoflav-2-enes |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O4 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2ccccc12 |
| Inchi Key | PJJGZPJJTHBVMX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2-((2,3-Dimethylphenyl)amino)-benzoic acid, 2-((2,3-Dimethylphenyl)amino)benzoic acid, 2-(2,3-Dimethylanilino)benzoic acid, 2-(2,3-Dimethylphenyl)amino-benzoic acid, 2-[(2,3-Dimethylphenyl)amino]-benzoic acid, 2-[(2,3-Dimethylphenyl)amino]benzoic acid, 2',3'-Dimethyl-2-diphenylaminecarboxylic acid, 5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, 9CI, Ac. mefenamico, Acid, mefenamic, Acid, mefenaminic, Acido mefenamico, Acidum mefenamicum, Antigen brand OF mefenamic acid, Apo mefenamic, Apo-mefenamic, Apomefenamic, Apotex brand OF mefenamic acid, Aps brand OF mefenamic acid, Ashbourne brand OF mefenamic acid, Bafameritin-m, Bafhameritin-m, Bonabol, Chemidex brand OF mefenamic acid, Clonmel brand OF mefenamic acid, Contraflam, Coslan, Dysman, Elan brand OF mefenamic acid, Farmasierra brand OF mefenamic acid, Fenamin, First horizon brand OF mefenamic acid, Forte, ponstan, Lysalgo, Mefac, Mefacit, Mefedolo, Mefenamate, Mefenamic acid, Mefenamic acid (jp15/usp/inn), Mefenaminic acid, Mefic, Mephenamic acid, Mephenaminic acid, Methenamic acid, Mycasaal, N-(2, 3-Dimethylphenyl)anthranilic acid, N-(2,3-Dimethylphenyl)anthranilic acid, N-(2,3-Xylyl)-2-aminobenzoic acid, N-(2,3-Xylyl)-anthranilic acid, N-(2,3-Xylyl)anthranilic acid, N-2,3-Xylyl-anthranilic acid, N-2,3-Xylylanthranilic acid, Namphen, Nu mefenamic, Nu pharm brand OF mefenamic acid, Nu-mefenamic, Nu-pharm brand OF mefenamic acid, Numefenamic, Parke davis brand OF mefenamic acid, Parkemed, Pfizer brand OF mefenamic acid, Pharmascience brand OF mefenamic acid, Pinalgesic, Pinewood brand OF mefenamic acid, PMS mefenamic acid, PMS-mefenamic acid, Ponalar, Ponalgic, Ponmel, Ponstan, Ponstan forte, Ponstel, Ponstil, Ponstyl, Ponsyl, Pontal, Rolan, Rowa brand OF mefenamic acid, Tamany bonsan, Tanston, Vialidon, Warner lambert brand OF mefenamic acid, Warner-lambert brand OF mefenamic acid, 2-(2,3-dimethylanilino)Benzoic acid, 5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, 9ci, acido Mefenamico, apo Mefenamic, apo-Mefenamic, Mefenamic acid (JP15/usp/inn), PMS Mefenamic acid, PMS-Mefenamic acid, 5, 7-dihydroxyisoflavone, |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | 5,7-Dihydroxyisoflavone |
| Kingdom | Organic compounds |
| Exact Mass | 254.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 254.24 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H |
| Smiles | C1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Isoflavones |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all