(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl 3-(5-hydroxy-4-methyl-2-oxo-2H-pyrrol-3-yl)propanoate
AlkaPlorer ID: AK059316
Synonym: None
IUPAC Name: [(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] 3-(4-methyl-2,5-dioxopyrrol-3-yl)propanoate
Structure
SMILES: CC1=C(CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)NC1=O
InChI: InChI=1S/C28H47NO4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)18-19-33-26(30)17-16-25-24(6)27(31)29-28(25)32/h18,20-22H,7-17,19H2,1-6H3,(H,29,31,32)/b23-18+/t21-,22-/m1/s1
InChIKey: HGGYIQWUUJPSKB-MRIFWDATSA-N
Reference
Bioactive constituents from the green alga Caulerpa racemosa
PubChem CID: 118721518
LOTUS: LTS0240643
NPASS: NPC472264
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caulerpa racemosa | Caulerpa | Caulerpaceae | Bryopsidales | Ulvophyceae | Chlorophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 461.6870000000003
TPSA？: 72.47
MolLogP？: 6.668100000000007
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2014.11.031 |
| Homo sapiens | Dual specificity phosphatase Cdc25B | IC50 | 42920.0 | nM | 10.1016/j.bmc.2014.11.031 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 2300.0 | nM | 10.1016/j.bmc.2014.11.031 |
| Homo sapiens | Protein-tyrosine phosphatase 1C | Inhibition | 50.0 | % | 10.1016/j.bmc.2014.11.031 |
| Homo sapiens | Protein-tyrosine phosphatase 2C | Inhibition | 50.0 | % | 10.1016/j.bmc.2014.11.031 |
| Homo sapiens | Receptor-type tyrosine-protein phosphatase F (LAR) | Inhibition | 50.0 | % | 10.1016/j.bmc.2014.11.031 |
| Homo sapiens | T-cell protein-tyrosine phosphatase | IC50 | 12560.0 | nM | 10.1016/j.bmc.2014.11.031 |
| None | NON-PROTEIN TARGET | IC50 | 100000.0 | nM | 10.1016/j.bmc.2014.11.031 |