Altemicidin
AlkaPlorer ID: AK047521
Synonym: None
IUPAC Name: (4aR,6S,7R,7aS)-4-carbamoyl-6-hydroxy-2-methyl-7-[(2-sulfamoylacetyl)amino]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyridine-7-carboxylic acid
Structure
SMILES: CN1C=C(C(=N)O)[C@@H]2C[C@H](O)[C@@](N=C(O)CS(N)(=O)=O)(C(=O)O)[C@@H]2C1
InChI: InChI=1S/C13H20N4O7S/c1-17-3-7(11(14)20)6-2-9(18)13(12(21)22,8(6)4-17)16-10(19)5-25(15,23)24/h3,6,8-9,18H,2,4-5H2,1H3,(H2,14,20)(H,16,19)(H,21,22)(H2,15,23,24)/t6-,8+,9-,13+/m0/s1
InChIKey: VZRFZUPFQKSXPV-VPFIQFBESA-N
Reference
Altemicidin, a new acaricidal and antitumor substance. II. Structure determination.
PubChem CID: 11036174
LOTUS: LTS0143667
SuperNatural Ⅲ: SN0404430-02
NPASS: NPC268844
{NPAtlas: NPA013044
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Pseudoceratina purpurea | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Streptomyces calvus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 376.3910000000001
TPSA？: 197.6
MolLogP？: -1.5836299999999983
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LC50 | 3.0 | ug.mL-1 | 10.1021/np501015m |
| Mus musculus | L1210 | IC50 | 840.0 | nM | 10.1016/j.ejmech.2020.112957 |
| Mus musculus | L1210 | IC50 | 2120.0 | nM | 10.1021/np501015m |
| Mus musculus | Mus musculus | LD50 | 0.3 | mg.kg-1 | 10.1021/np501015m |
| Tetranychus urticae | Tetranychus urticae | Activity | 50.0 | % | 10.1021/np501015m |
| None | NON-PROTEIN TARGET | IC50 | 2120.0 | nM | 10.1021/np501015m |
| None | Unchecked | IC50 | 820.0 | nM | 10.1016/j.ejmech.2020.112957 |