(4Z)-4-(cyanomethylidene)-2,3-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl benzoate
AlkaPlorer ID: AK023468
Synonym: None
IUPAC Name: [(1S,2R,3S,4Z,5R)-4-(cyanomethylidene)-2,3-dihydroxy-5-[(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](OC(=O)C2=CC=CC=C2)[C@H](O)[C@H]1O
InChI: InChI=1S/C21H25NO10/c22-7-6-11-12(31-21-19(28)18(27)17(26)14(9-23)32-21)8-13(16(25)15(11)24)30-20(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-/m1/s1
InChIKey: KGOYILLMEBWCAQ-XZQXRLEYSA-N
Reference
Lanceolins A and B: Nitrile Glycoside Esters from Lophira lanceolata
PubChem CID: 101670835
LOTUS: LTS0063678
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？: -2.0274199999999984
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|