1-Hydroxy-2-cyclopentene-1-carboxylic acid; (S)-form, Nitrile, O-β-D-glucopyranoside
AlkaPlorer ID: AK301035
Synonym: Tetraphyllin A
IUPAC Name: 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Structure
SMILES: N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CCC1
InChI: InChI=1S/C12H17NO6/c13-6-12(3-1-2-4-12)19-11-10(17)9(16)8(15)7(5-14)18-11/h1,3,7-11,14-17H,2,4-5H2
InChIKey: HBCFZAXOSTUEHA-UHFFFAOYSA-N
Reference
Cyanogenic glycosides of Malesherbia
PubChem CID: 435459
CAS: 34323-06-3
LOTUS: LTS0199149
COCONUT: CNP0264430.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Deidamia | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Adenia globosa | Adenia | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Turnera ulmifolia | Turnera | Passifloraceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 271.26900000000006
TPSA？: 123.17000000000002
MolLogP？: -1.58472
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|