PubChem CID | 5280343 |
Molecular Formula | C15H10O7 |
Structure |
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Synonyms |
quercetin
117-39-5 Sophoretin Meletin Quercetine Xanthaurine Quercetol Quertine Quercitin 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one 3,3',4',5,7-Pentahydroxyflavone Cyanidelonon 1522 Flavin meletin 3,5,7,3',4'-Pentahydroxyflavone Quertin T-Gelb bzw. grun 1 C.I. Natural Yellow 10 Quercetin content Kvercetin C.I. 75670 C.I. Natural red 1 Cyanidenolon 1522 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one CI Natural Yellow 10 Corvitin Korvitin Lipoflavon 3',4',5,7-Tetrahydroxyflavan-3-ol C.I. Natural yellow 10 & 13 Flavone, 3,3',4',5,7-pentahydroxy- NSC 9219 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one CCRIS 1639 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy- HSDB 3529 NCI-C60106 3'-hydroxykaempferol CHEBI:16243 NSC9219 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on AI3-26018 UNII-9IKM0I5T1E C15H10O7 NSC-9219 EINECS 204-187-1 9IKM0I5T1E Quercetin (GMP) 3',4',5,7-tetrahydroxyflavon-3-ol BRN 0317313 CI 75670 DTXSID4021218 3,3',4,5,7-Pentahydroxyflavone 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one CHEMBL50 Ci-75670 MFCD00006828 NSC-57655 LDN-0052529 Flavone, 3,4',5,5',7-pentahydroxy- DTXCID001218 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one Quercetin (constituent of ginkgo) 5-18-05-00494 (Beilstein Handbook Reference) 3,5,7,3',4'-Pentahydroxyflavon Kvercetin [Czech] Natural Yellow 10 QUERCETIN (IARC) QUERCETIN [IARC] QUERCETIN (USP-RS) QUERCETIN [USP-RS] QUE BRD9794 Dikvertin BRD-9794 2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-BENZOPYRAN-4-ONE CAS-117-39-5 3,5,7,3',4'-pentahydroflavone NSC57655 NSC58588 SR-01000076098 MixCom3_000183 Ritacetin Quer Quercetin, 74893-81-5 4dfu 4mra Quercetin2H2O Meletin;Sophoretin Quercetin Phenolic KUC104418N KUC107684N LIM-5662 LNS-5662 TNP00070 TNP00089 Quercetin1540 CI Natural Red 1 KSC-23-76 Quercetin_sathishkumar KSC-10-126 Quercetin (Sophoretin) Spectrum_000124 Tocris-1125 3cf8 QUERCETIN [DSC] QUERCETIN [MI] BiomolKI_000062 QUERCETIN [HSDB] 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 [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 MLS006011766 BIDD:ER0315 DivK1c_000485 SCHEMBL219729 SPECTRUM1500672 T-GELB BZW, GRUN 1 CU-01000012502-3 SPBio_000217 SPBio_002354 BDBM7460 BPBio1_000477 GTPL5346 MEGxp0_000381 SGCUT00001 3,4',5,7-Pentahydroxyflavone CI Natural Yellow 10 & 13 NIOSH/LK8760000 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 3,7,3',4'-Pentahydroxyflavone NINDS_000485 3',4',5,7-tetrahydroxyflavonol 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 to_000078 3,4',5,5',7-pentahydroxyflavone Tox21_202308 Tox21_300285 Tox21_500999 BBL005513 CCG-40054 Flavone,3',4',5,7-pentahydroxy- HB0542 HY-18085G LMPK12110004 NSC 57655 NSC324608 NSC756660 s2391 STK365650 Quercetin, >=95% (HPLC), solid 3,4',5,5',7-pentahydroxy-Flavone AKOS000511724 Quercetin 1000 microg/mL in Acetone CS-3981 DB04216 DS-3416 LP00999 NSC-756660 SDCCGSBI-0050972.P003 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 NCGC00015870-36 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 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 2-(3,4-Dihydroxyphenyl)-4H-1-benzopyran-4-one Flavone, 3,3',4',5,7-pentahydroxy-, (+)- Q409478 Q-200333 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- 4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,zirconium(2+)salt(1:1) |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
Canonical SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O |
InChI | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H |
InChIKey | REFJWTPEDVJJIY-UHFFFAOYSA-N |
Molecular Weight | 302.23 g/mol |
XLogP3 | 1.5 |
Hydrogen Bond Donor Count | 5 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 1 |
Exact Mass | 302.043 |
Monoisotopic Mass | 302.043 |
Topological Polar Surface Area | 127 |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 488 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Insect | Gene Symbol | Validation | Reference |
---|---|---|---|
Aphis gossypii | CYP6CY22 | R,D | |
Apis mellifera | CYP6AS1 | X | |
Apis mellifera | CYP6AS10 | X | |
Apis mellifera | CYP6AS3 | X | |
Apis mellifera | CYP6AS4 | X | |
Helicoverpa zea | CYP6B8 | X | |
Hyphantria cunea | CYP6ZB2 | R | |
Spodoptera exigua | CYP6AE10 | R | |
Spodoptera litura | CYP9A40 | R |