Proacaciberin
AlkaPlorer ID: AK016966
Synonym: '', 'Proacaciberin'
IUPAC Name: (2S)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybut-3-enenitrile
Structure
SMILES: C=C(C)[C@@H](C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C16H25NO10/c1-6(2)8(3-17)26-16-14(23)12(21)11(20)9(27-16)5-25-15-13(22)10(19)7(18)4-24-15/h7-16,18-23H,1,4-5H2,2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1
InChIKey: BHUCUDQLYLLDIA-ZHFVSHRQSA-N
Reference
Proacaciberin, A cyanogenic glycoside from Acacia sieberiana var. Woodii
PubChem CID: 656519
CAS: 79197-21-0
LOTUS: LTS0251576
SuperNatural Ⅲ: SN0025881-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vachellia sieberiana | Vachellia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 391.373
TPSA？: 182.09
MolLogP？: -3.265519999999998
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|