Compound | Amomol A |
NPACT-Id | NPACT00257 |
IUPAC | 2-[(2R)-2-hydroxyheptadecyl]-2-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one |
Synonyms | - |
PubChem Id | 44448222 |
Class | Oxygen heterocycles |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | LOBKLUVDTHVJSR-CSMDKSQMSA-N |
InChi | 1S/C27H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)23-27(30-2)22-21-26(31-27)19-17-24(28)18-20-26/h17-20,25,29H,3-16,21-23H2,1-2H3/t25-,27?/m1/s1 |
SMILES | O1[C@](OC)(CC[C@]21C=CC(=O)C=C2)C[C@H](O)CCCCCCCCCCCCCCC |
SMART | [#6]CCCCCCCCCCCCCC[C@@H](O)C[C@]1(CC[C@]2(O1)C=CC(=O)C=C2)O[#6] |
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 |