Venturamide A
AlkaPlorer ID: AK064174
Synonym: None
IUPAC Name: (4R,11R,18R)-4,7,11-trimethyl-18-propan-2-yl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Structure
SMILES: CC1=C2N=C(O1)[C@@H](C)N=C(O)C1=CSC(=N1)[C@@H](C(C)C)N=C(O)C1=CSC(=N1)[C@@H](C)N=C2O
InChI: InChI=1S/C21H24N6O4S2/c1-8(2)14-21-25-12(7-33-21)16(28)22-9(3)19-27-15(11(5)31-19)18(30)23-10(4)20-24-13(6-32-20)17(29)26-14/h6-10,14H,1-5H3,(H,22,28)(H,23,30)(H,26,29)/t9-,10-,14-/m1/s1
InChIKey: OJMSNONHTSXZKM-GPCCPHFNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Oscillatoria sp. | Oscillatoria | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 488.5950000000002
TPSA？: 149.58
MolLogP？: 5.042920000000003
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | IC50 | 86000.0 | nM | 10.1021/np0605790 |
| Homo sapiens | MCF7 | IC50 | 8200.0 | nM | 10.1021/np800409z |
| Homo sapiens | MCF7 | IC50 | 13100.0 | nM | 10.1021/np0605790 |
| Leishmania donovani | Leishmania donovani | IC50 | 20000.0 | nM | 10.1021/np0605790 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 8200.0 | nM | 10.1021/np0605790 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 13100.0 | nM | 10.1021/np800409z |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 14600.0 | nM | 10.1021/np0605790 |