Arenamide B
AlkaPlorer ID: AK049556
Synonym: None
IUPAC Name: (3S,6S,9S,12S,19S)-3-benzyl-19-[(2S)-hexan-2-yl]-6-methyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CCCC[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/C34H53N5O7/c1-8-9-13-22(6)27-18-28(40)35-19-29(41)39-30(21(4)5)33(44)37-25(16-20(2)3)32(43)36-23(7)31(42)38-26(34(45)46-27)17-24-14-11-10-12-15-24/h10-12,14-15,20-23,25-27,30H,8-9,13,16-19H2,1-7H3,(H,35,40)(H,36,43)(H,37,44)(H,38,42)(H,39,41)/t22-,23-,25-,26-,27-,30-/m0/s1
InChIKey: HVPYLVISSBODEY-GAXORZTASA-N
Reference
Arenamides A−C, Cytotoxic NFκB Inhibitors from the Marine Actinomycete <i>Salinispora arenicola</i>
PubChem CID: 42640845
LOTUS: LTS0068541
NPASS: NPC169328
{NPAtlas: NPA006006
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: 643.8260000000002
TPSA？: 171.79999999999998
MolLogP？: 2.148300000000006
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 | 19.2 | 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 | 1700.0 | nM | 10.1021/np800617a |