Drug Information

General Information
Drug ID
DR00225
Drug Name
Quercetin
Synonyms
2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate; 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one; 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one; 3',4',5,7-Tetrahydroxyflavan-3-ol; 3',4',5,7-tetrahydroxyflavon-3-ol; 3,3',4',5,7-Pentahydroxyflavone; 3,3',4',5,7-Pentahydroxyflavone dihydrate; 3,3',4,5,7-Pentahydroxyflavone; 3,5,7,3',4'-Pentahydroxyflavone; 3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-on; 3,5,7-trihydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one; C.I . natural yellow 10; C.I. 75670; C.I. Natural Yellow 10; C.I. Natural red 1; C.I. Natural yellow 10 & 13; CI Natural Yellow 10; CU-01000012502-3; Cyanidelonon 1522; Flavin meletin; KSC-10-126; KSC-23-76; KUC104418N; KUC107684N; Kvercetin; Kvercetin [Czech]; LIM-5662; LNS-5662; Meletin; MixCom3_000183; Natural Yellow 10; P0042; Q 0125; QUE; Quercetin content; Quercetin dihydrate; Quercetine; Quercetol; Quercitin; Quertin; Quertine; Sophoretin; T-Gelb bzw. grun 1; TNP00070; TNP00089; Xanthaurine
Drug Type
Small molecular drug
Indication Coronary artery disease [ICD11:BA6Z] Phase 3 [1]
Obesity [ICD11:5B81] Phase 3 [1]
Therapeutic Class
Hypoglycemic Agents
Structure
3D MOL 2D MOL
Formula
C15H10O7
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
CAS Number
CAS 117-39-5
Pharmaceutical Properties Molecular Weight 302.23 Topological Polar Surface Area 127
Heavy Atom Count 22 Rotatable Bond Count 1
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 7
XLogP
1.5
PubChem CID
5280343
PubChem SID
10318962 ,10318963 ,10589526 ,11108251 ,11111704 ,11111705 ,11111706 ,11113933 ,11120249 ,11120737 ,11121225 ,11121719 ,11122199 ,11335660 ,11360899 ,11362822 ,11362998 ,11365384 ,11365560 ,11367946 ,11368122 ,11370875 ,11370876 ,11371563 ,11373547 ,11374432 ,11376108 ,11376284 ,11387263 ,11401319 ,11446388 ,11455076 ,11455328 ,11461871 ,11466535 ,3157247 ,3679 ,5183365 ,596331 ,74741 ,7636346 ,7884117 ,7890165 ,8137945 ,8145679 ,8149624 ,820896 ,821326 ,841197 ,8616230
ChEBI ID
ChEBI:16243
TTD Drug ID
D0K8KX
DT(s) Transporting This Drug BCRP Transporter Info Breast cancer resistance protein Substrate [2]
FLVCR1 Transporter Info Feline leukemia virus subgroup C receptor-related protein 1 Substrate [3]
GLUT1 Transporter Info Glucose transporter type 1 Substrate [4]
MCT2 Transporter Info Monocarboxylate transporter 2 Substrate [5]
MRP1 Transporter Info Multidrug resistance-associated protein 1 Substrate [6]
MRP4 Transporter Info Multidrug resistance-associated protein 4 Substrate [6]
P-GP Transporter Info P-glycoprotein 1 Substrate [7]
References
1 ClinicalTrials.gov (NCT03943459) Sirtuin-1 and Advanced Glycation End-products in Postmenopausal Women With Coronary Disease
2 Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.
3 The Transporter Classification Database (TCDB): recent advances. Nucleic Acids Res. 2016 Jan 4;44(D1):D372-9. (ID: 2.A.1.28.1)
4 Oral Bioavailability and Disposition of Phytochemicals
5 Monocarboxylate Transporters in Drug Disposition: Role in the Toxicokinetics and Toxicodynamics of the Drug of Abuse GHB.
6 Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
7 Flavonoid permeability across an in situ model of the blood-brain barrier. Free Radic Biol Med. 2004 Mar 1;36(5):592-604.

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