2-[(1E)-5-hydroxy-4-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
AlkaPlorer ID: AK451965
Synonym: None
IUPAC Name: (2Z)-2-[(4R,5S,6S)-5-hydroxy-4-methoxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
Structure
SMILES: CO[C@@H]1C=C/C(=C/C#N)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChI: InChI=1S/C15H21NO8/c1-22-8-3-2-7(4-5-16)14(11(8)19)24-15-13(21)12(20)10(18)9(6-17)23-15/h2-4,8-15,17-21H,6H2,1H3/b7-4-/t8-,9-,10-,11+,12+,13-,14+,15+/m1/s1
InChIKey: LZYYZVIACZQHFH-VWNCQVFTSA-N
Reference
Bauhinin, a New Nitrile Glucoside from Bauhinia championii
PubChem CID: 6442526
LOTUS: LTS0022402
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bauhinia championii | Bauhinia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 343.33200000000005
TPSA？: 152.63
MolLogP？: -2.432819999999998
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|