Compound | Limocitrin 3,5,7,4'-tetramethyl ether |
NPACT-Id | NPACT00712 |
IUPAC | 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one |
Synonyms | Gossypetin hexamethyl ether |
PubChem Id | 146093 |
Class | Flavonoid |
In-vitro anticancer activity | 6 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | XBZIUXVIWRAJKB-UHFFFAOYSA-N |
InChi | 1S/C21H22O8/c1-23-12-8-7-11(9-13(12)24-2)18-21(28-6)17(22)16-14(25-3)10-15(26-4)19(27-5)20(16)29-18/h7-10H,1-6H3 |
SMILES | o1c2c(c(=O)c(OC)c1c1cc(OC)c(OC)cc1)c(OC)cc(OC)c2OC |
SMART | [#6]OC1=CC(O[#6])=C(O[#6])C2=C1C(=O)C(O[#6])=C(O2)C1=CC(O[#6])=C(O[#6])C=C1 |
CAS No. | 7741-47-1 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | ABI Chem, ChemFrog, |
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 |