Molecule

(1S,4R)-passicapsin

AlkaPlorer ID: AK103297

Synonym: ''

IUPAC Name: (1S,4R)-4-[(2R,4S,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile

Structure

SMILES: C[C@H]1O[C@@H](O[C@H]2C=C[C@@](C#N)(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C[C@H](O)[C@H]1O

InChI: InChI=1S/C18H27NO10/c1-8-13(22)10(21)4-12(26-8)27-9-2-3-18(5-9,7-19)29-17-16(25)15(24)14(23)11(6-20)28-17/h2-3,8-17,20-25H,4-6H2,1H3/t8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18-/m1/s1

InChIKey: KQTRNMODDGXNSU-UUTXUICWSA-N

Reference

Cyanohydrin glycosides of Passiflora: distribution pattern, a saturated cyclopentane derivative from P. guatemalensis, and formation of pseudocyanogenic α-hydroxyamides as isolation artefacts

PubChem CID: 14331017

LOTUS: LTS0259138

SuperNatural Ⅲ: SN0192888-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Passiflora capsularis	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 417.4110000000001

TPSA？: 182.09

MolLogP？: -2.732919999999998

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi