Compound: hesperetin
SMILES: O=C1c2c(O[C@@H](C1)c3cc(O)c(OC)cc3)cc(O)cc2O
InChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-N
Synonyms: hesperetin, Hesperitin, 520-33-2, 3',5,7-Trihydroxy-4'-methoxyflavanone, (-)-hesperetin, 5,7,3'-Trihydroxy-4'-methoxyflavanone, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one, (-)-(S)-hesperetin, Eriodictyol 4'-monomethyl ether, NSC-57654, FEMA NO. 4313, Q9Q3D557F1, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-, DTXSID4022319, CHEBI:28230, (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, Flavanone, 3',5,7-trihydroxy-4'-methoxy-, 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-, 2,3-DIHYDRO-5,7-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, RefChem:783778, DTXCID702319, 208-290-2, (S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, YSO2, 41001-90-5, Cyanidanon 4'-methyl ether 1626, (S)-Hesperetin, MFCD00075646, NSC 57654, Prestwick_908, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one, 4H-1-Benzopyran-4-one,2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chroman-4-one, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one, (2s)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3-Dihydro-4h-1-Benzopyran-4-One, (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one, EINECS 208-290-2, Hesperitine, UNII-Q9Q3D557F1, RS-Hesperetin, (2S)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one (Hesperetin), 6JP, TNP00238, (+-)-Hesperetin, (S)-2,3-Dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone, 4'-Methoxy-3',5,7-trihydroxyflavanone, Spectrum_000181, HESPERETIN [MI], Prestwick0_000124, Prestwick1_000124, Prestwick2_000124, Prestwick3_000124, Spectrum2_001793, Spectrum3_001104, Spectrum4_001935, Spectrum5_000683, GlyTouCan:G50351VD, HESPERETIN [FHFI], 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, Oprea1_828704, SCHEMBL39833, BSPBio_000168, BSPBio_002808, KBioGR_002311, KBioSS_000661, SPECTRUM310012, Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN), MLS002154205, BIDD:ER0512, DivK1c_001039, SPBio_001745, SPBio_002107, BPBio1_000186, CHEMBL399121, orb1305314, orb3139590, SCHEMBL29359052, SCHEMBL29534477, BCBcMAP01_000087, BDBM23418, GTPL10953, HMS503O19, KBio1_001039, KBio2_000661, KBio2_003229, KBio2_005797, KBio3_002028, NINDS_001039, GLXC-07741, HMS1568I10, HMS2095I10, HMS2230M09, HMS3649H22, HMS3884N11, NP-13, Diosmin EP Impurity G; Hesperetin, G50351VD, HY-N0168, MSK40171, BBL104011, CCG-38441, EBC-17050, LMPK12140003, s2308, SBB005936, STL557824, (RS)-Eriodictyol 4'-monomethyl ether, AKOS016339567, AC-7970, DB01094, FH23766, KS-5307, SDCCGMLS-0066605.P001, IDI1_001039, SMP1_000148, NCGC00016482-01, NCGC00016482-02, NCGC00016482-03, NCGC00016482-04, NCGC00142415-01, NCGC00142415-02, 5,7, 3'-Trihydroxy-4'-methoxyflavanone, CAS-520-33-2, SMR001233491, ST055624, SY057338, H0721, NS00014845, SW197026-2, C01709, H10029, (RS)-3',5 ,7-Trihydroxy-4'-methoxy-flavanone, Discontinued. Please see H289480 or H289501, F054447, Q411310, SR-01000946723, (S)-3',5,7-TRIHYDROXY-4'-METHOXYFLAVANONE, SR-01000946723-1, BRD-K30553453-001-05-8, BRD-K30553453-001-08-2, BRD-K30553453-001-13-2, Flavanone, 3',5, 7-trihydroxy-4'-methoxy- (VAN), Flavanone, 3',5,7-trihydroxy-4'-methoxy- (VAN) (8CI), (RS)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanone, (2RS)-5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2 ,3-dihydrochromen-4-one
Theoretical properties:
molecular_formula: C16H14O6
molecular_weight: 302.28 g/mol
exact_mass: 302.07903816 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 22
topological_polar_surface_area: 96.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Hesperetin is a trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. It has a role as an antioxidant, an antineoplastic agent and a plant metabolite. It is a member of 4'-methoxyflavanones, a monomethoxyflavanone, a trihydroxyflavanone and a member of 3'-hydroxyflavanones. It is a conjugate acid of a hesperetin(1-).
chebi: A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position.
chembl: HESPERETIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 0.5.
wikipedia: Hesperetin is the 4'-methoxy derivative of eriodictyol, a flavanone. The 7-O-glycoside of hesperetin, hesperidin, is a naturally occurring flavanone-glycoside, the main flavonoid in grapefruits, lemons, and sweet oranges.