1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid; (1S,4S)-form, Nitrile, 1-O-β-D-glucopyranoside, 4-O-sulfate
AlkaPlorer ID: AK296143
Synonym: Tetraphyllin B sulfate
IUPAC Name: [4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulfate
Structure
SMILES: N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(OS(=O)(=O)O)C1
InChI: InChI=1S/C12H17NO10S/c13-5-12(2-1-6(3-12)23-24(18,19)20)22-11-10(17)9(16)8(15)7(4-14)21-11/h1-2,6-11,14-17H,3-4H2,(H,18,19,20)
InChIKey: OXUIYNFEUWRHJJ-UHFFFAOYSA-N
Reference
Sulphate esters of cyclopentenoid cyanohydrin glycosides
PubChem CID: 435458
LOTUS: LTS0270845
COCONUT: CNP0232579.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Passiflora caerulea | Passiflora | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 367.33200000000016
TPSA？: 186.77
MolLogP？: -2.78682
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|