saliniketal A
AlkaPlorer ID: AK322624
Synonym: None
IUPAC Name: (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide
Structure
SMILES: C/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@@H](O2)[C@H]1C)C(=N)O
InChI: InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,12,14-20,24-25H,10-11H2,1-6H3,(H2,23,26)/b8-7+,13-9-/t12-,14+,15+,16+,17+,18-,19+,20+,22-/m0/s1
InChIKey: GRVRRAOIXXYICO-PGWQPXQSSA-N
Reference
Saliniketals A and B, Bicyclic Polyketides from the Marine Actinomycete <i>Salinispora arenicola</i>
PubChem CID: 44418841
LOTUS: LTS0065965
NPASS: NPC477865
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salinispora arenicola | Salinispora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 395.5400000000002
TPSA？: 103.0
MolLogP？: 3.5843700000000016
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ornithine decarboxylase | Activity | nan | None | 10.1021/np0604580 |
| Homo sapiens | Ornithine decarboxylase | IC50 | 1.95 | ug.mL-1 | 10.1021/np0604580 |