Turbostatin 1
AlkaPlorer ID: AK048724
Synonym: None
IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]hexadecanamide
Structure
SMILES: CCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)CCCCCCCCCCCCCCC
InChI: InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-34(42)39-31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)32(41)27-25-23-21-19-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25+/t31-,32+,33+,35+,36-,37+,38+/m0/s1
InChIKey: MRQVBTPSVJFXHV-ONXCDSSJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Turbo stenogyrus | Turbo | Turbinidae | Trochida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 672.0009999999995
TPSA？: 152.20000000000002
MolLogP？: 7.447300000000007
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DU-145 | GI50 | 1.6 | ug.mL-1 | 10.1021/np040107q |
| Homo sapiens | KM-20L2 | GI50 | 0.35 | ug.mL-1 | 10.1021/np040107q |
| Homo sapiens | MCF7 | GI50 | 0.44 | ug.mL-1 | 10.1021/np040107q |
| Homo sapiens | NCI-H460 | GI50 | 0.34 | ug.mL-1 | 10.1021/np040107q |
| Homo sapiens | SF-268 | GI50 | 0.98 | ug.mL-1 | 10.1021/np040107q |
| Mus musculus | P388 | GI50 | 0.27 | ug.mL-1 | 10.1021/np040107q |
| None | NON-PROTEIN TARGET | GI50 | 0.71 | ug.mL-1 | 10.1021/np040107q |