Compound | Erybreadin B |
NPACT-Id | NPACT01199 |
IUPAC | - |
Synonyms | - |
PubChem Id | 45268827 |
Class | Flavonoid |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | XDRMVDDOBVPELW-CYFREDJKSA-N |
InChi | 1S/C25H26O4/c1-14(2)5-6-16-20(26)9-7-18-22(16)27-13-19-15-8-10-21-17(23(15)28-24(18)19)11-12-25(3,4)29-21/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/m0/s1 |
SMILES | O1[C@@H]2[C@H](c3c1c1c(OC(C=C1)(C)C)cc3)COc1c2ccc(O)c1CC=C(C)C |
SMART | [H]OC1=C(C2=C(C([H])=C1[H])[C@]1([H])OC3=C(C([H])=C([H])C4=C3C([H])=C([H])[C@](O4)(C([H])([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])O2)C([H])([H])C([H])=C(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 | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | Therapeutic Targets Database, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |