Viridamide A
AlkaPlorer ID: AK027078
Synonym: None
IUPAC Name: methyl (2S)-1-[(2S,3S)-2-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[5-methoxydec-9-ynoyl(methyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]oxy-3-methylpentanoyl]pyrrolidine-2-carboxylate
Structure
SMILES: C#CCCCC(CCCC(=O)N(C)[C@H](C(O)=N[C@H](C(O)=N[C@H](C(=O)N(C)[C@H](C(=O)O[C@H](C(=O)N1CCC[C@H]1C(=O)OC)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC)OC
InChI: InChI=1S/C46H79N5O10/c1-16-19-20-23-33(59-14)24-21-26-35(52)49(12)39(31(10)17-2)42(54)47-36(28(4)5)41(53)48-37(29(6)7)43(55)50(13)38(30(8)9)46(58)61-40(32(11)18-3)44(56)51-27-22-25-34(51)45(57)60-15/h1,28-34,36-40H,17-27H2,2-15H3,(H,47,54)(H,48,53)/t31-,32-,33?,34-,36-,37-,38-,39-,40-/m0/s1
InChIKey: XKUKFJXRMIGFKU-QHUKCZFVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscillatoria nigro-viridis | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 862.1629999999999
TPSA？: 187.94
MolLogP？: 6.415400000000011
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IZ | 250.0 | mm | 10.1021/np800110e |
| Leishmania mexicana | Leishmania mexicana | IC50 | 1500.0 | nM | 10.1021/np800110e |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 5800.0 | nM | 10.1021/np800110e |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 1100.0 | nM | 10.1021/np800110e |
| None | NON-PROTEIN TARGET | IZ | 200.0 | mm | 10.1021/np800110e |