Arenamide A
AlkaPlorer ID: AK004446
Synonym: None
IUPAC Name: (3S,6S,9S,12S,19S)-3-benzyl-6-methyl-9-(2-methylpropyl)-19-[(2S)-octan-2-yl]-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CCCCCC[C@H](C)[C@@H]1CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O1
InChI: InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24-,25-,27-,28-,29-,32-/m0/s1
InChIKey: HQEBGENSMXBRMP-GZMZQGJJSA-N
Reference
Arenamides A−C, Cytotoxic NFκB Inhibitors from the Marine Actinomycete <i>Salinispora arenicola</i>
PubChem CID: 42640846
LOTUS: LTS0026846
SuperNatural Ⅲ: SN0132426-02
NPASS: NPC310467
{NPAtlas: NPA001389
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Arenicola | Arenicolidae | None | Polychaeta | Annelida | Metazoa | Eukaryota |
| Salinispora arenicola | Salinispora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 671.8800000000002
TPSA？: 171.79999999999998
MolLogP？: 2.9285000000000085
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np800617a |
| Enterococcus faecium | Enterococcus faecium | Activity | nan | None | 10.1021/np800617a |
| Homo sapiens | HCT-116 | IC50 | 13.2 | ug.mL-1 | 10.1021/np800617a |
| Mus musculus | RAW264.7 | Activity | 35.0 | % | 10.1021/np800617a |
| Mus musculus | RAW264.7 | Activity | 50.0 | % | 10.1021/np800617a |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np800617a |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np800617a |
| None | Unchecked | IC50 | 3700.0 | nM | 10.1021/np800617a |