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-]

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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

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InChIKey: CGSPIRSDEUJHCF-OBPUHCEQSA-N

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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

Metabolism Information