Compound | Muricatetrocins B |
NPACT-Id | NPACT01275 |
IUPAC | - |
Synonyms | 4-[2-hydroxy-6-[5-(1,4,5-trihydroxyundecyl)oxolan-2-yl]hexyl]-2-methyl-2H-furan-5-one |
PubChem Id | 393472 |
Class | Polyketides |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | CTUPPWQYDNGORK-UHFFFAOYSA-N |
InChi | 1S/C26H46O7/c1-3-4-5-6-11-22(28)23(29)13-14-24(30)25-15-12-21(33-25)10-8-7-9-20(27)17-19-16-18(2)32-26(19)31/h16,18,20-25,27-30H,3-15,17H2,1-2H3 |
SMILES | O1C(CCC1CCCCC(O)CC1=CC(OC1=O)C)C(O)CCC(O)C(O)CCCCCC |
SMART | [H]O[C@]([H])(C([H])([H])C1=C([H])[C@]([H])(OC1=O)C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])O[C@@]([H])(C([H])([H])C1([H])[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([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 | ABI Chem, |
Drug-Likeliness Filters | Lipinski's rule of five | Yes |
Ghose filter | No |
Veber filter | No |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |