7-Amino-2-methyl-2,4,9-tridecatrienoic acid; (2E,4E,7ξ,9E)-form, N-Ac
AlkaPlorer ID: AK286548
Synonym: Niveamide
IUPAC Name: (2E,4E,9E)-7-acetamido-2-methyltrideca-2,4,9-trienoic acid
Structure
SMILES: CCC/C=C/CC(C/C=C/C=C(\C)C(=O)O)N=C(C)O
InChI: InChI=1S/C16H25NO3/c1-4-5-6-7-11-15(17-14(3)18)12-9-8-10-13(2)16(19)20/h6-10,15H,4-5,11-12H2,1-3H3,(H,17,18)(H,19,20)/b7-6+,9-8+,13-10+
InChIKey: JCGFHZLJWDGMSX-NRWMFWRASA-N
Reference
A unique macrolactam derivative via a [4+6]-cycloaddition from Streptomyces niveus
PubChem CID: 127034348
CAS: 1886022-45-2
LOTUS: LTS0112008
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces niveus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 279.38
TPSA？: 69.89
MolLogP？: 4.055000000000002
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.02.002 |
| None | ADMET | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.02.002 |
| None | NON-PROTEIN TARGET | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2016.02.002 |