arenamide B
AlkaPlorer ID: AK049554
Synonym: '(-)-Scopularide B', '(-)-Arenamide B', 'Scopularide B', 'Arenamide B'
IUPAC Name: (3S,6S,9R,12S,19S)-3-benzyl-19-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: CCCCC(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-AQVZVHCSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Scopulariopsis brevicaulis | Scopulariopsis | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 643.8260000000002
TPSA？: 189.25
MolLogP？: 6.349800000000006
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np070580e |
| Homo sapiens | COLO357 | Activity | 26.0 | % | 10.1021/np070580e |
| Homo sapiens | HT-29 | Activity | 24.0 | % | 10.1021/np070580e |
| Nakaseomyces glabratus | Nakaseomyces glabratus | Activity | nan | None | 10.1021/np070580e |
| Pseudomonas fluorescens | Pseudomonas fluorescens | Activity | nan | None | 10.1021/np070580e |
| None | NON-PROTEIN TARGET | Activity | 49.0 | % | 10.1021/np070580e |