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| CAS Number | 117-39-5 |
| Catalog Number | AG00366R(AGN-PC-03D0U3) |
| Chemical Name | Quercetin |
| EC Number | 204-187-1 |
| IUPAC Name | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
| 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 |
| InChI Key | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| MDL Number | MFCD00149487 |
| Molecular Formula | C15H10O7 |
| Molecular Weight | 302.2357 |
| NSC Number | 9219 |
| SMILES | OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C1=CC(=C(C=C1)O)O |
| UN Number | 2811 |
| UNII | 9IKM0I5T1E |
| Synonyms | 3,3',4',5,7-pentahydroxyflavone,
dikvertin,
Quercetin,
quercetin,
117-39-5,
Sophoretin,
Meletin,
Quercetine,
Xanthaurine,
Quercetol,
Quercitin,
Quertine,
3,3',4',5,7-Pentahydroxyflavone,
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one,
Flavin meletin,
Cyanidelonon 1522,
3,5,7,3',4'-Pentahydroxyflavone,
T-Gelb bzw. grun 1,
C.I. Natural Yellow 10,
Quercetin content,
Kvercetin,
Quertin,
C.I. Natural red 1,
Kvercetin [Czech],
Natural Yellow 10,
C.I. 75670,
CI Natural Yellow 10,
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one,
3',4',5,7-Tetrahydroxyflavan-3-ol,
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-,
C.I. Natural yellow 10 & 13,
CCRIS 1639,
HSDB 3529,
Flavone, 3,3',4',5,7-pentahydroxy-,
NCI-C60106,
UNII-9IKM0I5T1E,
NSC 9219,
3',4',5,7-tetrahydroxyflavon-3-ol,
3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on,
Cyanidenolon 1522,
CHEBI:16243,
AI3-26018,
NSC9219,
CHEMBL50,
EINECS 204-187-1,
BRN 0317313,
9IKM0I5T1E,
CI 75670,
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one,
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one,
2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one,
REFJWTPEDVJJIY-UHFFFAOYSA-N,
NSC-9219,
MFCD00006828,
AK106169,
DSSTox_CID_1218,
DSSTox_RID_76017,
DSSTox_GSID_21218,
QUE,
Q-200333,
BRD9794,
BRD-9794,
CAS-117-39-5,
NSC57655,
NSC58588,
SR-01000076098,
7255-55-2,
MixCom3_000183,
C.I . natural yellow 10,
Ritacetin,
Quer,
4dfu,
4mra,
KUC104418N,
KUC107684N,
3,3',4,5,7-Pentahydroxyflavone,
LIM-5662,
LNS-5662,
TNP00070,
TNP00089,
KSC-23-76,
Quercetin(Sophoretin),
Quercetin_sathishkumar,
KSC-10-126,
Quercetin (Sophoretin),
Quercetin - Sophoretin,
Spectrum_000124,
Tocris-1125,
3cf8,
AC1NQWX8,
BiomolKI_000062,
Maybridge1_008992,
Prestwick0_000507,
Prestwick1_000507,
Prestwick2_000507,
Prestwick3_000507,
Spectrum2_000059,
Spectrum3_000642,
Spectrum4_000807,
Spectrum5_001389,
Lopac-Q-0125,
P0042,
C.I. natural yellow 13,
BiomolKI2_000068,
Enicostemma Littorale Blume,
UPCMLD-DP081,
Q 0125,
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),
KSC497C4F,
MLS006011766,
BIDD:ER0315,
DivK1c_000485,
SCHEMBL219729,
SPECTRUM1500672,
CU-01000012502-3,
SPBio_000217,
SPBio_002354,
AC1Q795S,
AC1Q795T,
BDBM7460,
BPBio1_000477,
GTPL5346,
MEGxp0_000381,
SGCUT00001,
3,4',5,7-Pentahydroxyflavone,
DTXSID4021218,
UPCMLD-DP081:001,
ACon1_000560,
CTK3J7142,
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',5,7-Tetrahydroxyflavan-3-ol,
3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one,
Bio1_000369,
Bio1_000858,
Bio1_001347,
Bio2_000374,
Bio2_000854,
HMS1362F09,
HMS1792F09,
HMS1923O19,
HMS1990F09,
HMS3263G19,
HMS3267M12,
HMS3649D04,
HMS3656C15,
HMS3678J19,
to_000078,
ZINC3869685,
3,5,7,3',4'-Pentahydroxyflavon,
Tox21_202308,
Tox21_300285,
Tox21_500999,
ANW-73134,
BBL005513,
BS0155,
CCG-40054,
CQ0011,
Flavone,3',4',5,7-pentahydroxy-,
GP9232,
LMPK12110004,
LS-589,
NSC324608,
Quercetin solution, 20 mM in DMSO,
s2391,
SBB012521,
STK365650,
Quercetin, >=95% (HPLC), solid,
3,4',5,5',7-pentahydroxy-Flavone,
AKOS000511724,
CS-3981,
DB04216,
DS-3416,
EBD2197934,
LP00999,
MCULE-2433372790,
NUT0000107,
RTX-012622,
IDI1_000485,
IDI1_002129,
KS-0000021G,
SMP1_000252,
Flavone, 3,4',5,5',7-pentahydroxy-,
NCGC00015870-01,
NCGC00015870-02,
NCGC00015870-03,
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,
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,
4CN-0923,
74893-81-5,
AC-19596,
AC-29756,
AJ-46321,
AN-22768,
BAS 00649429,
CJ-10980,
HY-18085,
LS-69030,
NCI60_042036,
S295,
SC-25667,
SMR000112559,
ST024706,
ST057237,
SY057722,
Quercetin, Sophoretin, Meletin, Quercetine,
AX8030401,
EU-0100999,
FT-0603318,
FT-0655108,
N1841,
Q0025,
ST24039236,
SW148203-4,
MFCD00006828 (95%),
Quercetin, disposable screening library format,
Quercetin; 3,3',4',5,7-Pentahydroxyflavone,
17Q395,
A-8821,
C00389,
K00029,
S00057,
WLN: T66 BO EVJ CR CQ DQ & DQ GQ IQ,
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-K97399794-335-03-1,
SR-01000076098-11,
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone;hydrate,
3,3',4',5,7-pentahydroxyflavone solution, 20 mM in DMSO,
A1784/0075599,
49643640-FD4C-4B93-BD28-0D7C2021CC52,
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #,
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one solution, 20 mM in DMSO,
4H-1-Benzopyran-4-one,2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, zirconium(2+) salt (1:1),
Quercetin dihydrate,
Cyanidanol,
Dikvertin,
Jaune naturel 10,
QUERCETIN:,
Quercetin-3-O-rhamnoside,
D0K8KX,
3-(Trifluoromethoxy)aniline,
Color Index No. 75670,
Color Index Number 75670,
Colour Index No. 75670,
NSC 9221,
Colour Index Number 75670,
C15H10O7,
3,3',4',5,6-pentahydroxyflavone,
3-(3,4-Dichlorophenoxy)benzaldehyde,
c0808,
NA2811,
UN2811,
ACN-034772,
C15-H10-O7,
CID5280343,
CS-O-02217,
2- -3,5,7-trihydroxy-chromen-4-one,
3,3',4',5,7-Pentahydroxyflavone dihydrate,
A2552,
6151-25-3,
A10766,
D011794,
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate,
4H-1-Benzopyran-4-one,4-dihydroxyphenyl)-3,5,7-trihydroxy-,
BENZOPYRAN(4H-1)-4-ONE, 2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-,
79124-76-8,
849061-97-8,
|
| Complexity | 488 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.238g/mol |
| Monoisotopic Mass | 302.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
| Symbol: | |
| Hazard Class | 6.1 |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | Ⅲ |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code | UN 2811 |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

