Marcfortine A
AlkaPlorer ID: AK022007
Synonym: None
IUPAC Name: (1'S,8R,8'S,10'S)-4,4,11',11',14'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,12'-3,14-diazatetracyclo[6.5.2.01,10.03,8]pentadecane]-9,15'-dione
Structure
SMILES: CN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@@]1(C(O)=NC4=C5OC=CC(C)(C)OC5=CC=C41)C(C)(C)[C@@H]2C3
InChI: InChI=1S/C28H35N3O4/c1-24(2)11-13-34-21-18(35-24)9-8-17-20(21)29-22(32)28(17)15-27-16-31-12-7-6-10-26(31,23(33)30(27)5)14-19(27)25(28,3)4/h8-9,11,13,19H,6-7,10,12,14-16H2,1-5H3,(H,29,32)/t19-,26-,27+,28+/m0/s1
InChIKey: KYKUTNUWXQVSSU-ZALBMCOMSA-N
Reference
Aspergillicins A–E: five novel depsipeptides from the marine-derived fungus Aspergillus carneus
PubChem CID: 10983639
CAS: 75731-43-0
LOTUS: LTS0004067
SuperNatural Ⅲ: SN0198781-05
{NPAtlas: NPA018224
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium roqueforti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 477.6050000000003
TPSA？: 74.60000000000001
MolLogP？: 4.474800000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | 30.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | -3.44 | None | 10.6019/CHEMBL4888484 |