Compound | Longimicins C |
NPACT-Id | NPACT00723 |
IUPAC | (2S)-4-[(2R,7R)-2,7-dihydroxy-7-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]oxolan-2-yl]heptyl]-2-methyl-2H-furan-5-one |
Synonyms | - |
PubChem Id | 10483634 |
Class | Polyketides |
In-vitro anticancer activity | 6 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | HEAQKFJRNIADPO-GHRGOOLJSA-N |
InChi | 1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-29(37)31-20-22-33(41-31)34-23-21-32(42-34)30(38)19-16-15-17-28(36)25-27-24-26(2)40-35(27)39/h24,26,28-34,36-38H,3-23,25H2,1-2H3/t26-,28+,29+,30+,31+,32+,33+,34+/m0/s1 |
SMILES | O1[C@@H]([C@@H]2O[C@H](CC2)[C@H](O)CCCC[C@@H](O)CC2=C[C@@H](OC2=O)C)CC[C@@H]1[C@H](O)CCCCCCCCCCCCCC |
SMART | [#6]CCCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@@H](O)CC1=C[C@H]([#6])OC1=O |
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 |