(2Z)-2-(cyanomethylidene)-5,6-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl benzoate
AlkaPlorer ID: AK499566
Synonym: None
IUPAC Name: [(1S,2Z,3R,5S,6S)-2-(cyanomethylidene)-5,6-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] benzoate
Structure
SMILES: N#C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)[C@H](O)[C@H]1OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C21H25NO10/c22-7-6-11-13(30-21-18(28)17(27)16(26)14(9-23)31-21)8-12(24)15(25)19(11)32-20(29)10-4-2-1-3-5-10/h1-6,12-19,21,23-28H,8-9H2/b11-6-/t12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKey: QGZABFFHLXRLGE-YGXHQCNMSA-N
Reference
Lanceolins A and B: Nitrile Glycoside Esters from Lophira lanceolata
PubChem CID: 101670834
LOTUS: LTS0051326
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lophira lanceolata | Lophira | Ochnaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 451.42800000000017
TPSA？: 189.93
MolLogP？: -2.0274199999999976
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|