UNPD73951
AlkaPlorer ID: AK267413
Synonym: None
IUPAC Name: (E,4Z)-4-[cyano-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]-6-methoxy-6-oxohex-2-enoic acid
Structure
SMILES: COC(=O)CC(/C=C/C(=O)O)=C(\C#N)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O
InChI: InChI=1S/C15H19NO10/c1-24-11(20)4-7(2-3-10(18)19)8(5-16)25-15-14(23)13(22)12(21)9(6-17)26-15/h2-3,9,12-15,17,21-23H,4,6H2,1H3,(H,18,19)/b3-2+,8-7+/t9-,12+,13+,14+,15-/m0/s1
InChIKey: ZAGGPLANHIGDAL-LIVJIHFKSA-N
Reference
The major cyanogenic glycoside in thalictrum aquilegifolium
PubChem CID: 163010503
LOTUS: LTS0263730
SuperNatural Ⅲ: SN0465009-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum aquilegiifolium | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.3140000000001
TPSA？: 186.77
MolLogP？: -2.2155199999999984
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|