Cyanogenic glycosides

Prunasin

野黑樱苷

PHY-NP-07302 · Natural product research catalog

Catalog number	PHY-NP-07302
CAS number	99-18-3
Molecular formula	C₁₄H₁₇NO₆
Molecular weight	295.291 g/mol
Chemical class	Cyanogenic glycosides
Purity / assay	Confirmed in quotation and batch COA

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Product information

Prunasin is listed in the Cyanogenic glycosides section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
SMILES	C1=CC=C(C=C1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChIKey	ZKSZEJFBGODIJW-GMDXDWKASA-N
Subclass / scaffold	α-羟腈糖苷
PubChem CID	119033

Computed properties & structure classification

Exact mass (Da)	295.1056	Predicted LogP	-0.9322
Predicted TPSA (Å²)	123.17	H-bond donors	4
H-bond acceptors	7	Rotatable bonds	4
Ring count	2	Aromatic rings	1
Fraction Csp³	0.5	Synthetic accessibility score	3.8
QED score	0.565	Lipinski rule violations	0
NPClassifier pathway	Amino acids and Peptides	NPClassifier superclass	Amino acid glycosides
NPClassifier class	Cyanogenic glycosides	Parent SMILES	N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
Parent formula	C₁₄H₁₇NO₆	Parent molecular weight	295.291
Specified stereocenters	6	Unspecified stereocenters	0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported source	Perilla frutescens
LOTUS / Wikidata species	Perilla frutescens(紫苏)[3]；Carica papaya(番木瓜)[2]；Chaenomeles japonica(日本木瓜)[2]；Gerbera jamesonii(非洲菊)[2]；Passiflora edulis(百香果)[2]；Prunus armeniaca(杏)[2]；Prunus persica(桃)[2]；Prunus serotina(晚花稠李)[2]；Sambucus nigra(西洋接骨木)[2]；Acacia caroleae[1]；Acacia dealbata(银荆)[1]；Acacia deanei[1]；Acacia gracillima Tindale (1975)[1]；Acacia olgana[1]；Acacia polybotrya[1]；…
Source families	Rosaceae[16]；Fabaceae[10]；Asteraceae[4]；Oliniaceae[4]；Lamiaceae[2]；Caricaceae[2]
LOTUS species records	50
LOTUS reference records	45
COCONUT occurrence records	Acacia caroleae；Acacia dealbata；Acacia dealbata Link；Acacia deanei；Acacia gracillima Tindale (1975)；Acacia olgana；Acacia polybotrya；Acacia schinoides；Acacia sibina；Acacia trachycarpa；Aconitum kamtschaticum；Aconitum leucostomum；Aconitum vilmorinianum；Actinidia kolomikta；Adenocaulon himalaicum；Amelanchier lamarckii F. G. Schroed.；Amelanchier ovalis Medik.；Amyris marshii；Anarsia lineatella；Apollonias barbujana；Aquilegia ecalcarata；Artemisia hanseniana；Artemisia lactiflora；Artemisia vulgaris；Aruncus dioicus；Attalea excelsa；Blumea mollis；Boronella koniambiensis；Brachyspira hyodysenteriae；Brevibacillus laterosporus；…
COCONUT organism records	173
COCONUT identifier	CNP0232898.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Download structure · SDF ↓Download structure image ↓View PubChem record ↗

Structure files describe the catalog record. They are not COA, SDS or evidence of batch quality.

Documents & specifications

Certificate of analysis (COA)	Batch-specific document pending; not available in this preview
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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