Trichogin A IV
AlkaPlorer ID: AK069268
Synonym: None
IUPAC Name: N-[1-[[2-[[(2S)-1-[[1-[[2-[[2-[[(2S)-1-[[1-[[2-[[(2S,3S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]octanamide
Structure
SMILES: CCCCCCCC(O)=NC(C)(C)C(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(O)=NCC(O)=NCC(O)=N[C@@H](CC(C)C)C(O)=NC(C)(C)C(O)=NCC(O)=N[C@H](C(O)=N[C@H](CO)CC(C)C)[C@@H](C)CC
InChI: InChI=1S/C52H95N11O12/c1-16-18-19-20-21-22-38(65)61-50(10,11)47(73)55-28-41(68)59-37(25-33(7)8)45(71)62-51(12,13)48(74)54-26-39(66)53-27-40(67)58-36(24-32(5)6)44(70)63-52(14,15)49(75)56-29-42(69)60-43(34(9)17-2)46(72)57-35(30-64)23-31(3)4/h31-37,43,64H,16-30H2,1-15H3,(H,53,66)(H,54,74)(H,55,73)(H,56,75)(H,57,72)(H,58,67)(H,59,68)(H,60,69)(H,61,65)(H,62,71)(H,63,70)/t34-,35-,36-,37-,43-/m0/s1
InChIKey: LZAAXJCEERCDPT-CKFFZNTQSA-N
Reference
Trichogin A IV, an 11-residue lipopeptaibol from Trichoderma longibrachiatum
PubChem CID: 15886478
LOTUS: LTS0185753
SuperNatural Ⅲ: SN0219256-01
{NPAtlas: NPA005533
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma longibrachiatum | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1066.3969999999997
TPSA？: 378.72
MolLogP？: 9.855300000000002
Number of H-Donors: 12
Number of H-Acceptors: 12
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | EC50 | 8090.0 | nM | 10.1021/acs.jnatprod.0c01370 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 930.0 | nM | 10.1021/acs.jnatprod.0c01370 |
| None | ADMET | Ratio EC50 | 9.0 | None | 10.1021/acs.jnatprod.0c01370 |