Aerucyclamide C
AlkaPlorer ID: AK014088
Synonym: None
IUPAC Name: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
Structure
SMILES: CC[C@H](C)[C@H]1NC(=O)C2=COC(=N2)[C@H](C(C)C)NC(=O)[C@H]2N=C(O[C@@H]2C)[C@H](C)NC(=O)C2=CSC1=N2
InChI: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
InChIKey: MQIAICAGVFTAAN-ZIYJYRAWSA-N
Reference
PubChem CID: 25156431
LOTUS: LTS0058422
SuperNatural Ⅲ: SN0232530-03
NPASS: NPC237219
{NPAtlas: NPA002399
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Microcystis aeruginosa | Microcystis | Microcystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 516.6240000000003
TPSA？: 147.81
MolLogP？: 2.7793
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2300.0 | nM | 10.1021/np800409z |
| Rattus norvegicus | L6 | IC50 | 106000.0 | nM | 10.1021/np800409z |
| Thamnocephalus platyurus | Thamnocephalus platyurus | LC50 | 70500.0 | nM | 10.1021/np800409z |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 9200.0 | nM | 10.1021/np800409z |