Navigation

name Structure Reference Source Properties Activities Metabolism

Biseokeaniamide A

AlkaPlorer ID: AK009194

Synonym: None

IUPAC Name: (2S)-1-[(2S)-2-[butanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(2S)-1-[[(2S)-4-methyl-1-[methyl-[(2S)-3-methyl-1-[methyl(1,3-thiazol-2-ylmethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide

Structure

SMILES: CCCC(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N(C)CC1=NC=CS1)C(C)C)C(C)C

copy

InChI: InChI=1S/C42H65N7O6S/c1-12-17-35(50)47(10)37(29(6)7)42(55)49-22-16-20-32(49)40(53)46(9)33(25-30-18-14-13-15-19-30)38(51)44-31(24-27(2)3)39(52)48(11)36(28(4)5)41(54)45(8)26-34-43-21-23-56-34/h13-15,18-19,21,23,27-29,31-33,36-37H,12,16-17,20,22,24-26H2,1-11H3,(H,44,51)/t31-,32-,33-,36-,37-/m0/s1

copy

InChIKey: XNASEKUWNLNRSN-LMUGUXCZSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Okeania Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 796.0919999999998

TPSA？: 147.03000000000003

MolLogP？: 5.299500000000007

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chlorocebus aethiops Sterol O-acyltransferase 1 IC50 1800.0 nM 10.1021/acs.jnatprod.7b00137
Chlorocebus aethiops Sterol O-acyltransferase 2 IC50 1300.0 nM 10.1021/acs.jnatprod.7b00137
Chlorocebus aethiops Sterol O-acyltransferase 2 IC50 9600.0 nM 10.1021/acs.jnatprod.7b00137
Homo sapiens HeLa IC50 29000.0 nM 10.1021/acs.jnatprod.7b00137
Homo sapiens HL-60 IC50 30000.0 nM 10.1021/acs.jnatprod.7b00137
Mus musculus RAW264.7 Activity nan None 10.1016/j.bmcl.2020.127069
Mus musculus RAW264.7 IC50 6470.0 nM 10.1016/j.bmcl.2020.127069
Mus musculus RAW264.7 IC50 14500.0 nM 10.1016/j.bmcl.2020.127069
Mus musculus RAW264.7 Inhibition nan % 10.1016/j.bmcl.2020.127069

Metabolism Information