Compound: daidzein
SMILES: O=c1c(-c2ccc(O)cc2)coc3c1ccc(c3)O
InChIKey: ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Synonyms: daidzein, 486-66-8, 4',7-Dihydroxyisoflavone, Daidzeol, 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one, 7,4'-Dihydroxyisoflavone, 7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one, 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, DTXSID9022310, 6287WC5J2L, DTXCID102310, CHEBI:28197, Diadzein, RefChem:5729, 207-635-4, 4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-, MFCD00016954, 4,7-Dihydroxyisoflavone, Daidzein (Standard), 7-Hydroxy-3-(4-hydroxy-phenyl)-chromen-4-one, CHEMBL8145, 4',7-Dihydroxy-iso-flavone, CAS-486-66-8, SMR000326832, CCRIS 7600, K 251b, SR-01000075492, EINECS 207-635-4, BRN 0231523, formonometin, UNII-6287WC5J2L, Isoflavone, 4',7-dihydroxy-, NPI 031E, Daizeol;, isoflavone aglycone, Daidzein (DAI), Dimethylbiochanin B;, Spectrum_000255, Tocris-1417, 4'7-dihydroxyisoflavone, DAIDZEIN [MI], BiomolKI_000060, Spectrum2_000053, Spectrum3_000191, Spectrum4_001964, Spectrum5_000857, Lopac-D-7802, DAIDZEIN [MART.], 4',7-dihydroxy-isoflavon, BiomolKI2_000066, DAIDZEIN [USP-RS], DAIDZEIN [WHO-DD], UPCMLD-DP052, 4',7-dihydroxy isoflavone, 7-HYDROXY-3-(4-HYDROXYPHENYL)CHROMONE, 4',7-dihydroxy-Isoflavone, Lopac0_000412, Oprea1_182317, Oprea1_305345, SCHEMBL19814, BSPBio_001741, Daidzein, analytical standard, KBioGR_002432, KBioSS_000735, SPECTRUM200789, 5-18-04-00089 (Beilstein Handbook Reference), MLS000859973, MLS001304056, MLS006011853, BIDD:ER0120, DivK1c_001023, d-(+)-alpha-methylbenzylamine, SPBio_000205, Daidzein, >=98%, synthetic, BMK1-F12, GTPL2828, MEGxm0_000123, NPI-031E, orb1309277, orb3139639, d-(+)-alpha-methylbenzyl amine, SCHEMBL29374778, UPCMLD-DP052:001, ACon0_001477, ACon1_000543, BDBM23420, HMS503M07, HY-N0019R, K-251b, KBio1_001023, KBio2_000735, KBio2_003303, KBio2_005871, KBio3_001241, NINDS_001023, 7,4'-Dihydroxy-isoflavone (3a), GLXC-06643, HMS1922P18, HMS2233H24, HMS3261C06, HMS3267J04, HMS3370C03, HMS3412O12, HMS3468L18, HMS3649B20, HMS3655A18, HMS3676O12, HMS5080K15, ALBB-015933, HY-N0019, MSK40144, Tox21_201444, Tox21_303650, Tox21_500412, BBL010490, CCG-38357, EBC-06042, HB2488, LMPK12050038, s1849, SBB066056, STK801626, AKOS002385052, AC-6035, DB13182, KS-5260, LP00412, SDCCGMLS-0066422.P001, SDCCGSBI-0050397.P003, IDI1_001023, SMP1_000089, NCGC00015365-01, NCGC00015365-02, NCGC00015365-03, NCGC00015365-04, NCGC00015365-05, NCGC00015365-06, NCGC00015365-07, NCGC00015365-08, NCGC00015365-09, NCGC00015365-10, NCGC00015365-11, NCGC00015365-12, NCGC00015365-13, NCGC00015365-14, NCGC00015365-15, NCGC00015365-16, NCGC00015365-17, NCGC00015365-18, NCGC00015365-31, NCGC00025156-01, NCGC00025156-02, NCGC00025156-03, NCGC00025156-04, NCGC00025156-05, NCGC00025156-06, NCGC00025156-07, NCGC00025156-08, NCGC00025156-09, NCGC00025156-10, NCGC00168978-01, NCGC00168978-02, NCGC00257367-01, NCGC00258995-01, NCGC00261097-01, ST057515, SY049259, 7-Hydroxy-3-(4-hydroxy-phenyl)-chromone, CS-0694988, D2668, EU-0100412, NS00010903, SW218107-2, 7-hydroxy-3-(4-hydroxyphenyl)-chromen-4-one, D 7802, EN300-116213, S00273, US8552057, 7, AB00052712-08, AB00052712_10, DAIDZEIN (CONSTITUENT OF ASTRAGALUS) [DSC], Daidzein, primary pharmaceutical reference standard, F024979, Q408732, DAIDZEIN (CONSTITUENT OF RED CLOVER) [DSC], SR-01000075492-1, SR-01000075492-3, SR-01000075492-7, SR-01000075492-8, BRD-K42095107-001-02-3, BRD-K42095107-001-05-6, BRD-K42095107-001-08-0, BRD-K42095107-001-16-3, BRD-K42095107-001-17-1, BRD-K42095107-001-18-9, BRD-K42095107-001-21-3, SR-01000075492-12, 80E3ED75-D852-4D97-9BD6-B5ADE7EA25A1, DAIDZEIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC], Z1494829514, Daidzein, United States Pharmacopeia (USP) Reference Standard, Daidzein, Pharmaceutical Secondary Standard; Certified Reference Material, ZF1
Theoretical properties:
molecular_formula: C15H10O4
molecular_weight: 254.24 g/mol
exact_mass: 254.05790880 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 19
topological_polar_surface_area: 66.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 323 °C
Descriptions:
pubchem: Daidzein is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. It has a role as an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor, an antineoplastic agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, a plant metabolite and a phytoestrogen. It is a conjugate acid of a daidzein(1-).
chebi: A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'.
chembl: DAIDZEIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Daidzein (7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one) is a naturally occurring compound found exclusively in soybeans and other legumes, and structurally belongs to a class of compounds known as isoflavones. Daidzein and other isoflavones are produced in plants through the phenylpropanoid pathway of secondary metabolism and are used as signal carriers, and defense responses to pathogenic attacks. Upon consumption of isoflavone-rich foods, daidzein has poor bioavailability and low water solubility.