(3R,4R)-4-[4-(2-cyanoethoxy)phenyl]-3,4-dihydroxybutanenitrile
AlkaPlorer ID: AK077885
Synonym: None
IUPAC Name: (3R,4R)-4-[4-(2-cyanoethoxy)phenyl]-3,4-dihydroxybutanenitrile
Structure
SMILES: N#CCCOC1=CC=C([C@@H](O)[C@H](O)CC#N)C=C1
InChI: InChI=1S/C13H14N2O3/c14-7-1-9-18-11-4-2-10(3-5-11)13(17)12(16)6-8-15/h2-5,12-13,16-17H,1,6,9H2/t12-,13-/m1/s1
InChIKey: JYKAXUOTCMVBDT-CHWSQXEVSA-N
Reference
Bursatellin: a new diol dinitrile from the sea hare Bursatella leachii pleii
PubChem CID: 163005368
LOTUS: LTS0208171
SuperNatural Ⅲ: SN0178671-01
NPASS: NPC85762
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Azadirachta indica | Azadirachta | Meliaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Limnodynastes dumerilii | Limnodynastes | Limnodynastidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 246.266
TPSA？: 97.27
MolLogP？: 1.28706
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|