icas#9
AlkaPlorer ID: AK109074
Synonym: '(4R)-4-{3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyloxy}valeric acid'
IUPAC Name: (4R)-4-[(2R,3R,5R,6S)-3-hydroxy-5-(1H-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxypentanoic acid
Structure
SMILES: C[C@H](CCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](OC(=O)C2=CNC3=CC=CC=C23)C[C@H]1O
InChI: InChI=1S/C20H25NO7/c1-11(7-8-18(23)24)26-20-16(22)9-17(12(2)27-20)28-19(25)14-10-21-15-6-4-3-5-13(14)15/h3-6,10-12,16-17,20-22H,7-9H2,1-2H3,(H,23,24)/t11-,12+,16-,17-,20-/m1/s1
InChIKey: GIZBXORWWXIWKX-VEZRURDRSA-N
Reference
Biosynthesis of the <i>Caenorhabditis elegans</i> dauer pheromone
PubChem CID: 44205804
LOTUS: LTS0008568
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | Caenorhabditis | Rhabditidae | Rhabditida | Chromadorea | Nematoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 391.4200000000001
TPSA？: 118.08
MolLogP？: 2.459000000000001
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|