Compound | 4',5'-Dihydro-11,5'-dihydroxy-4'-methoxytephrosin |
NPACT-Id | NPACT01088 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11762505 |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | NQO1 | All | |
Properties | Physical Elemental Topological |
InChi Key | RTUABMSWXKMPKI-JIEJDMOWSA-N |
InChi | 1S/C24H26O10/c1-23(2)22(27)20(31-5)18-15(34-23)7-11(25)17-19(18)33-16-9-32-12-8-14(30-4)13(29-3)6-10(12)24(16,28)21(17)26/h6-8,16,20,22,25,27-28H,9H2,1-5H3/t16-,20?,22?,24-/m1/s1 |
SMILES | O1[C@H]2[C@@](O)(C(=O)c3c1c1C(OC)C(O)C(Oc1cc3O)(C)C)c1c(OC2)cc(OC)c(OC)c1 |
SMART | [H]OC1=C([H])C2=C(C3=C1C(=O)[C@@]1(O[H])C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]1([H])O3)[C@@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@](O2)(C([H])([H])[H])C([H])([H])[H] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C481560 |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
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 |