Kyanomycin

AlkaPlorer ID: AK049547

Synonym: None

IUPAC Name: methyl 2-ethyl-5,7,12-trihydroxy-4-[2-[hydroxy-[2-(2-hydroxyoctadecanoyloxy)-3-nonadecanoyloxypropoxy]phosphoryl]oxyethylamino]-6,11-dioxotetracene-1-carboxylate

Structure

SMILES: CCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC1=CC(CC)=C(C(=O)OC)C2=C(O)C3=C(C(=O)C4=C(O)C=CC=C4C3=O)C(O)=C12)OC(=O)C(O)CCCCCCCCCCCCCCCC

copy

InChI: InChI=1S/C64H98NO16P/c1-5-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-40-52(68)78-44-47(81-63(73)51(67)38-34-32-30-28-26-24-21-19-17-15-13-11-9-6-2)45-80-82(75,76)79-42-41-65-49-43-46(7-3)53(64(74)77-4)56-55(49)61(71)58-57(62(56)72)59(69)48-37-36-39-50(66)54(48)60(58)70/h36-37,39,43,47,51,65-67,71-72H,5-35,38,40-42,44-45H2,1-4H3,(H,75,76)

copy

InChIKey: VFMUTABVXMDTSG-UHFFFAOYSA-N

copy

Source

Properties Information

Molecule Weight: 1168.453

TPSA: 261.74999999999994

MolLogP: 14.965399999999962

Number of H-Donors: 6

Number of H-Acceptors: 16

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information