Navigation

name Structure Reference Source Properties Activities Metabolism

(-)-Ternatin

AlkaPlorer ID: AK018919

Synonym: None

IUPAC Name: (3S,6S,9S,12S,15R,18R,21R)-15-[(2S)-butan-2-yl]-18-[(1R)-1-hydroxy-2-methylpropyl]-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Structure

SMILES: CC[C@H](C)[C@H]1N=C(O)[C@@H]([C@H](O)C(C)C)N=C(O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)N=C(O)[C@H](CC(C)C)N(C)C(=O)[C@H](C)N(C)C1=O

copy

InChI: InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)/t22-,23+,24-,25-,26-,27-,28+,29+,30+/m0/s1

copy

InChIKey: ZMFVAIFXJWEOMH-PTPSPKLBSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Trametes versicolor Trametes Polyporaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota

Properties Information

Molecule Weight: 737.984

TPSA？: 199.24

MolLogP？: 3.498200000000007

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus 3T3-L1 Activity nan None 10.1016/j.bmcl.2007.06.015
Mus musculus 3T3-L1 IC50 27.0 nM 10.1016/j.bmcl.2008.11.003
Mus musculus 3T3-L1 IC50 27.0 nM 10.1016/j.bmcl.2008.11.109
Mus musculus 3T3-L1 IC50 27.0 nM 10.1021/jm800741n
Mus musculus 3T3-L1 IC50 280.0 nM 10.1016/j.bmcl.2008.11.003
Mus musculus 3T3-L1 IC50 280.0 nM 10.1016/j.bmcl.2008.11.109
Mus musculus 3T3-L1 IC50 280.0 nM 10.1021/jm800741n
Mus musculus 3T3-L1 Ratio IC50 10.0 None 10.1016/j.bmcl.2008.11.109
Mus musculus Mus musculus Activity 0.16 g 10.1016/j.bmcl.2007.06.015
Mus musculus Mus musculus Activity 0.23 g 10.1016/j.bmcl.2007.06.015
Mus musculus Mus musculus Activity 0.5 g 10.1016/j.bmcl.2007.06.015
Mus musculus Mus musculus Activity 0.93 g 10.1016/j.bmcl.2007.06.015
Mus musculus Mus musculus Activity 25.8 g 10.1016/j.bmcl.2007.06.015

Metabolism Information