Compound | Vibsanins T |
NPACT-Id | NPACT01370 |
IUPAC | - |
Synonyms | - |
PubChem Id | 11441439 |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | ZCZKJKIOPWIFME-XWMBFTBISA-N |
InChi | 1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,24+,25+/m1/s1 |
SMILES | O1[C@@]2([C@@H]1CCC(=CC[C@@](C=C[C@H]2OC(=O)C=C(C)C)(C/C=C/C(O)(C)C)C)C=O)C |
SMART | [H]O[C@](C([H])=C(/[H])C([H])([H])[C@@]1(C([H])=C([H])[C@@]([H])(OC(=O)C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]2(O[C@@]2([H])C([H])([H])C([H])([H])C(C(=O)[H])=C([H])/C1([H])[H])C([H])([H])[H])C([H])([H])[H])(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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |