Simocyclinone D8
Antibiotic. Bacterial DNA gyrase inhibitor: Staphylococcus aureus (IC50= 1.45µM), E. coli (IC50= 0.41µM). Human topoisomerase II (Topo II) inhibitor (IC50= 100µM). Antibacterial (Gram-positive). Antitumor compound.
| Catalog Number | BVT-0290-M005 |
| Research Area | Cancer, Immunology, Natural Products |
| Molecular Formula | C46H42ClNO18 |
| CAS# | 301845-97-6 |
| Purity | >97% |
| Inchi | InChI=1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4+,7-5+,10-8+,11-9+/t21-,27-,28-,30?,38-,41?,43?,44?,45?,46?/m1/s1 |
| Inchi Key | PLEGMCYXNQPJNV-TYXWGSLYSA-N |
| SMILES | C[C@H]1O[C@H](C[C@@H](OC(=O)C=CC=CC=CC=CC(=O)NC2=C(O)C3=C(OC2=O)C(Cl)=C(O)C=C3)[C@@H]1OC(C)=O)C1=C(O)C2=C(C=C1)C(=O)C13OC1(C(O)CC1(O)CC(C)=CC(=O)C31O)C2O |
| Size | 5 mg |
| Supplier Page | http://www.adipogen.com/bvt-0290/simocyclinone-d8.html |