Turnagainolide B
AlkaPlorer ID: AK050378
Synonym: None
IUPAC Name: (3S,6S,9R,12S,16S)-6-[(2S)-butan-2-yl]-9-methyl-16-[(E)-2-phenylethenyl]-3,12-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadecane-2,5,8,11,14-pentone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H](C)N=C(O)[C@H](C(C)C)N=C(O)C[C@@H](/C=C/C2=CC=CC=C2)OC(=O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C30H44N4O6/c1-8-19(6)26-29(38)33-25(18(4)5)30(39)40-22(15-14-21-12-10-9-11-13-21)16-23(35)32-24(17(2)3)28(37)31-20(7)27(36)34-26/h9-15,17-20,22,24-26H,8,16H2,1-7H3,(H,31,37)(H,32,35)(H,33,38)(H,34,36)/b15-14+/t19-,20+,22+,24-,25-,26-/m0/s1
InChIKey: SMWGFJCKWZCJNQ-QWGWBJRGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
| Bacillus sp. RJA2194 | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 556.7040000000002
TPSA？: 156.66
MolLogP？: 5.693700000000005
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Phosphatidylinositol-3,4,5-trisphosphate 5-phosphatase 1 | Activity | None | None | 10.1021/np200033y |