Compound | sanggenon B |
NPACT-Id | NPACT01311 |
IUPAC | - |
Synonyms | - |
PubChem Id | 44559963 |
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 | GJKQLIDFFREHGO-UHFFFAOYSA-N |
InChi | 1S/C33H30O9/c1-16(2)8-9-32-22-7-5-20(35)12-25(22)42-33(32,39)30(38)28-26(41-32)13-23(36)27(29(28)37)18-10-17-14-31(3,15-18)40-24-11-19(34)4-6-21(17)24/h4-8,11-13,15,17,34-37,39H,9-10,14H2,1-3H3 |
SMILES | O1C2(CC(CC(=C2)c2c(O)c3C(=O)C4(Oc5c(C4(Oc3cc2O)CC=C(C)C)ccc(O)c5)O)c2c1cc(O)cc2)C |
SMART | [H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1(OC3=C(C(O[H])=C(C(O[H])=C3[H])C3=C([H])[C@@]4(OC5=C(C([H])=C([H])C(O[H])=C5[H])[C@]([H])(C3([H])[H])C4([H])[H])C([H])([H])[H])C(=O)[C@@]1(O[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 | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | No |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |