Monanchocidin E, rel-
AlkaPlorer ID: AK000075
Synonym: None
IUPAC Name: None
Structure
SMILES: CC/C=C/[C@@H]1CC[C@@]2(O1)C[C@H]3CC[C@@H]4[N+]3=C(N2)N[C@@]5([C@@H]4C(=O)OC(CC)CCCCCCCCCCCC[C@H]6C(=O)N([C@H]([C@](O6)(CCN)O)O)CCCN)CCC[C@@H](O5)C.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C46H80N6O8.C2HF3O2/c1-4-6-20-36-25-27-44(59-36)32-34-23-24-37-39(45(26-17-19-33(3)58-45)50-43(49-44)52(34)37)41(54)57-35(5-2)21-15-13-11-9-7-8-10-12-14-16-22-38-40(53)51(31-18-29-47)42(55)46(56,60-38)28-30-48;3-2(4,5)1(6)7/h6,20,33-39,42,55-56H,4-5,7-19,21-32,47-48H2,1-3H3,(H,49,50);(H,6,7)/b20-6+;/t33-,34+,35?,36+,37-,38-,39-,42-,44+,45-,46+;/m0./s1
InChIKey: CGSPIRSDEUJHCF-OBPUHCEQSA-N
Reference
PubChem CID: 54671473
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 959.202
TPSA?: 233.99999999999997
MolLogP?: 4.459000000000009
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | IC50 | 650.0 | nM | 10.1021/np200452m |
