Compound | Quercetin 3,7,3',4'-tetramethyl ether |
NPACT-Id | NPACT00893 |
IUPAC | - |
Synonyms | Retusin |
PubChem Id | 5352005 |
Class | Flavonoid |
In-vitro anticancer activity | 6 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | COX-1 | COX-2 | All | |
Properties | Physical Elemental Topological |
InChi Key | HHGPYJLEJGNWJA-UHFFFAOYSA-N |
InChi | 1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3 |
SMILES | o1c(c2cc(OC)c(OC)cc2)c(OC)c(=O)c2c1cc(OC)cc2O |
SMART | [#6]OC1=CC(O)=C2C(=O)C(O[#6])=C(OC2=C1)C1=CC(O[#6])=C(O[#6])C=C1 |
CAS No. | 1245-15-4 |
|
Structure Download |
|
Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | 1245-15-4 |
Suppliers | ABI Chem, Ambinter, MolPort, R&D Chemicals, ZINC, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |