Compound | 5-desmethylsinensetin |
NPACT-Id | NPACT00173 |
IUPAC | 2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one |
Synonyms | - |
PubChem Id | 152430 |
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 | QEWSAPKRFOFQIU-UHFFFAOYSA-N |
InChi | 1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3 |
SMILES | o1c2c(c(O)c(OC)c(OC)c2)c(=O)cc1c1cc(OC)c(OC)cc1 |
SMART | [#6]OC1=C(O[#6])C=C(C=C1)C1=CC(=O)C2=C(O)C(O[#6])=C(O[#6])C=C2O1 |
CAS No. | 21763-80-4 |
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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, |
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 |