Compound: quercetin
SMILES: O=c1c(O)c(oc2c1c(O)cc(c2)O)-c3cc(O)c(O)cc3
InChIKey: REFJWTPEDVJJIY-UHFFFAOYSA-N
Synonyms: quercetin, 117-39-5, Meletin, Sophoretin, Xanthaurine, Quercetine, Quercetol, Quertine, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one, Quercitin, 3,3',4',5,7-Pentahydroxyflavone, Quertin, Cyanidelonon 1522, Flavin meletin, 3,5,7,3',4'-Pentahydroxyflavone, T-Gelb bzw. grun 1, C.I. Natural Yellow 10, Cyanidenolon 1522, C.I. 75670, C.I. Natural red 1, Corvitin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, Korvitin, Lipoflavon, 3',4',5,7-Tetrahydroxyflavan-3-ol, Flavone, 3,3',4',5,7-pentahydroxy-, NSC 9219, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, NCI-C60106, 3'-hydroxykaempferol, NSC9219, 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on, NSC-9219, 9IKM0I5T1E, CI 75670, DTXSID4021218, CHEBI:16243, Ci-75670, NSC-57655, LDN-0052529, Flavone, 3,4',5,5',7-pentahydroxy-, DTXCID001218, Quercetin (constituent of ginkgo), Dikvertin, Quercetin,, Quercetin Phenolic, flavan-3,4-diols, Quercetin 1540, RefChem:6678, 204-187-1, Quercetin content, Kvercetin, C.I. Natural yellow 10 & 13, CCRIS 1639, HSDB 3529, MFCD00006828, Quercetin (GMP), 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one, 3',4',5,7-tetrahydroxyflavon-3-ol, AI3-26018, CHEMBL50, 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one, Kvercetin [Czech], Natural Yellow 10, 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one, CI Natural Yellow 10, QUE, 3,3',4',5,7-Pentahydroxyflavone dihydrate, BRD9794, BRD-9794, CAS-117-39-5, NSC57655, NSC58588, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate, SR-01000076098, EINECS 204-187-1, UNII-9IKM0I5T1E, MixCom3_000183, BRN 0317313, quceritin, quenterin, Ritacetin, Quer, 74893-81-5, quercetin aglycone, 4dfu, 4mra, Quercetin2H2O, Meletin;Sophoretin, KUC104418N, KUC107684N, 3,3',4,5,7-Pentahydroxyflavone, LIM-5662, LNS-5662, TNP00070, TNP00089, KSC-23-76, Quercetin (Standard), Quercetin_sathishkumar, KSC-10-126, Quercetin (Sophoretin), Spectrum_000124, Tocris-1125, 3cf8, QUERCETIN [DSC], QUERCETIN [MI], BiomolKI_000062, QUERCETIN [HSDB], QUERCETIN [IARC], Maybridge1_008992, Prestwick0_000507, Prestwick1_000507, Prestwick2_000507, Prestwick3_000507, Spectrum2_000059, Spectrum3_000642, Spectrum4_000807, Spectrum5_001389, Lopac-Q-0125, QUERCETIN [VANDF], P0042, C.I. natural yellow 13, BiomolKI2_000068, Enicostemma Littorale Blume, UPCMLD-DP081, Q 0125, QUERCETIN [USP-RS], QUERCETIN [WHO-DD], NCIOpen2_007628, NCIOpen2_007882, BIDD:PXR0007, Lopac0_000999, SCHEMBL19723, BSPBio_000433, BSPBio_001068, BSPBio_002243, KBioGR_000408, KBioGR_001293, KBioSS_000408, KBioSS_000584, 5-18-05-00494 (Beilstein Handbook Reference), MLS006011766, BIDD:ER0315, DivK1c_000485, SCHEMBL219729, SPECTRUM1500672, CU-01000012502-3, SPBio_000217, SPBio_002354, BDBM7460, BPBio1_000477, GTPL5346, MEGxp0_000381, orb1306219, orb3139993, SGCUT00001, 3,4',5,7-Pentahydroxyflavone, NIOSH/LK8760000, SCHEMBL11230710, SCHEMBL29351036, SCHEMBL29353785, SCHEMBL29723041, UPCMLD-DP081:001, ACon1_000560, HMS501I07, KBio1_000485, KBio2_000408, KBio2_000584, KBio2_002976, KBio2_003152, KBio2_005544, KBio2_005720, KBio3_000775, KBio3_000776, KBio3_001463, MSK7403, 3,7,3',4'-Pentahydroxyflavone, NINDS_000485, 3',5,7-Tetrahydroxyflavan-3-ol, Bio1_000369, Bio1_000858, Bio1_001347, Bio2_000374, Bio2_000854, HMS1362F09, HMS1792F09, HMS1923O19, HMS1990F09, HMS3263G19, HMS3267M12, HMS3414J21, HMS3649D04, HMS3656C15, HMS3678J19, HMS5080F22, HMS6019K04, Rutoside Trihydrate EP Impurity C, to_000078, 3,5,7,3',4'-Pentahydroxyflavon, Tox21_202308, Tox21_300285, Tox21_500999, BBL005513, CCG-40054, EBC-11067, Flavone,3',4',5,7-pentahydroxy-, HB0542, HY-18085G, HY-18085R, LMPK12110004, NSC 57655, NSC324608, NSC756660, NSC843017, s2391, SBB012521, STK365650, Quercetin, >=95% (HPLC), solid, 3,4',5,5',7-pentahydroxy-Flavone, AKOS000511724, Quercetin 1000 microg/mL in Acetone, CS-3981, DB04216, DS-3416, FQ32160, LP00999, NSC-756660, NSC-843017, SDCCGSBI-0050972.P003, SDCCGSBI-0050972.P010, IDI1_000485, IDI1_002129, LDN 0052529, SMP1_000252, NCGC00015870-01, NCGC00015870-02, NCGC00015870-03, NCGC00015870-04, NCGC00015870-05, NCGC00015870-06, NCGC00015870-07, NCGC00015870-08, NCGC00015870-09, NCGC00015870-10, NCGC00015870-11, NCGC00015870-12, NCGC00015870-13, NCGC00015870-14, NCGC00015870-15, NCGC00015870-16, NCGC00015870-17, NCGC00015870-18, NCGC00015870-19, NCGC00015870-21, NCGC00015870-22, NCGC00015870-23, NCGC00015870-24, NCGC00015870-25, NCGC00015870-28, NCGC00015870-33, NCGC00015870-36, NCGC00015870-38, NCGC00015870-48, NCGC00015870-50, NCGC00025016-01, NCGC00025016-02, NCGC00025016-03, NCGC00025016-04, NCGC00025016-05, NCGC00025016-06, NCGC00025016-07, NCGC00025016-08, NCGC00168962-01, NCGC00168962-02, NCGC00168962-03, NCGC00168962-04, NCGC00254218-01, NCGC00259857-01, NCGC00261684-01, Quercetin 100 microg/mL in Acetonitrile, AC-19596, AC-29756, HY-18085, NCI60_042036, SMR000112559, ST024706, ST057237, SY057722, (+)-3,3',4',5,7-Pentahydroxyflavone, Quercetin, Sophoretin, Meletin, Quercetine, CS-0638666, EU-0100999, LK87600000, NS00001142, Q0025, SW148203-4, Quercetin; 3,3',4',5,7-Pentahydroxyflavone, C00389, EN300-199773, K00029, S00057, QUERCETIN (CONSTITUENT OF GINKGO) [DSC], WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ, AH-357/03514064, F047268, Flavone, 3,3',4',5,7-pentahydroxy-, (+)-, Q409478, SR-01000076098-1, SR-01000076098-3, SR-01000076098-7, SR-01000076098-8, BRD-K97399794-001-02-1, BRD-K97399794-001-07-0, BRD-K97399794-001-09-6, BRD-K97399794-001-11-2, BRD-K97399794-001-14-6, BRD-K97399794-001-15-3, BRD-K97399794-001-16-1, BRD-K97399794-335-03-1, BRD-K97399794-335-05-6, BRD-K97399794-335-06-4, SR-01000076098-11, Z57176222, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate, 49643640-FD4C-4B93-BD28-0D7C2021CC52, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #, (+)-4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, 2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-BENZOPYRAN-4-ONE, Quercetin; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one, 3,3',4',5,7-Pentahydroxyflavone2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one, 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,zirconium(2+)salt(1:1)
Theoretical properties:
molecular_formula: C15H10O7
molecular_weight: 302.23 g/mol
exact_mass: 302.04265265 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 127 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow needles (dilute alcohol, +2 water)
color: Yellow needles (dilute alcohol, +2 water)
boiling_point: Sublimes (NTP, 1992)
melting_point: 601 to 603 °F (NTP, 1992)
solubility: less than 1 mg/mL at 70 °F (NTP, 1992)
Descriptions:
pubchem: Quercetin is a pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It has a role as a geroprotector, an antioxidant, an antibacterial agent, an antineoplastic agent, a protein kinase inhibitor, a chelator, a radical scavenger, an Aurora kinase inhibitor, a plant metabolite, a phytoestrogen and an EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor. It is a pentahydroxyflavone and a 7-hydroxyflavonol. It is a conjugate acid of a quercetin-7-olate.
chebi: A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine.
chembl: QUERCETIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Quercetin is a plant flavonol from the flavonoid group of polyphenols. It is found in many fruits, vegetables, leaves, seeds, and grains; capers, red onions, and kale are common foods containing appreciable amounts of it. It has a bitter flavor and is used as an ingredient in dietary supplements, beverages, and foods.