Alternaramide
AlkaPlorer ID: AK010264
Synonym: None
IUPAC Name: (3R,6S,12R,15S,18S)-3,12-dibenzyl-15-propan-2-yl-16-oxa-1,4,10,13-tetrazatricyclo[16.3.0.06,10]henicosane-2,5,11,14,17-pentone
Structure
SMILES: CC(C)[C@@H]1OC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C33H40N4O6/c1-21(2)28-30(39)35-25(20-23-13-7-4-8-14-23)31(40)36-17-9-15-26(36)29(38)34-24(19-22-11-5-3-6-12-22)32(41)37-18-10-16-27(37)33(42)43-28/h3-8,11-14,21,24-28H,9-10,15-20H2,1-2H3,(H,34,38)(H,35,39)/t24-,25-,26+,27+,28+/m1/s1
InChIKey: IZCWSRIIMBIBGB-MASCHLQQSA-N
Reference
PubChem CID: 44605719
LOTUS: LTS0126194
SuperNatural Ⅲ: SN0159174-02
NPASS: NPC262077
{NPAtlas: NPA009409
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alternaria sp. SF-5016 | Alternaria | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 588.7050000000003
TPSA？: 132.1
MolLogP？: 3.685400000000001
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IZ | 8.0 | mm | 10.1021/np900464p |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np900464p |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np900464p |
| Homo sapiens | Protein-tyrosine phosphatase 1B | Inhibition | 49.0 | % | 10.1021/np900464p |
| Proteus vulgaris | Proteus vulgaris | Activity | nan | None | 10.1021/np900464p |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 13.0 | mm | 10.1021/np900464p |