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Stilbenes

Pterostilbene

PHY-NP-02223 · Natural product research catalog

Catalog numberPHY-NP-02223
CAS number1318852-41-3
Molecular formulaC16H16O3
Molecular weight256.301 g/mol
Chemical classStilbenes
Main reported sourcePterocarpus marsupium
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Pterostilbene

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Product information

Pterostilbene is listed in the Stilbenes 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 name4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
SMILESCOC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)O)OC
InChIKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N
Subclass / scaffoldMonomeric stilbenes
PubChem CID5281727

Computed properties

Exact mass (Da)256.1099Predicted LogP3.5798
Predicted TPSA (Ų)38.69H-bond donors1
H-bond acceptors3Rotatable bonds4

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count2
Aromatic rings2
Fraction Csp³0.125
Synthetic accessibility score1.89
QED score0.85
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassStilbenoids
NPClassifier classMonomeric stilbenes
Parent SMILESCOc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1
Parent formulaC16H16O3
Parent molecular weight256.301
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourcePterocarpus marsupium
Reported source familiesFabaceae; Vitaceae; Combretaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciesPterocarpus marsupium[7]; Vitis vinifera[5]; Pterocarpus soyauxii[2]; Anogeissus acuminata[1]; Dalea versicolor[1]; Deguelia rufescens[1]; Deguelia urucu[1]; Guibourtia tessmannii[1]; Hansenia forbesii[1]; Plasmopara viticola[1]; Pterocarpus macrocarpus[1]; Pterocarpus santalinus[1]; Pterocarpus tinctorius[1]; Pterolobium hexapetalum[1]; Soymida febrifuga[1]
All reported source familiesFabaceae[10]; Vitaceae[5]; Combretaceae[2]; Ericaceae[1]; Rubiaceae[1]; Apiaceae[1]
Genus / family recordsVaccinium[2]; Coffea[1]; Vitis[1]
LOTUS species records21
LOTUS reference records29
COCONUT occurrence recordsAcacia adunca; Adiantum lunulatum; Alstonia spathulata; Amathia pinnata; Anacystis montana; Annona cornifolia; Anogeissus acuminata; Artemisia assoana; Asterospicularia laurae; Astragalus sempervirens; Bishovia boliviensis; Blastochloris viridis; Botrytis cinerea; Calostephane divaricata; Caragana aurantiaca; Chaenomeles sinensis; Coffea; Cotyledon secunda; Daemonorops draco; Dalea versicolor; Deguelia rufescens; Deguelia urucu; Dracaena cochinchinensis; Dracaena sp.; Drechslera avenae; Dumortiera hirsuta; Eucalyptus melliodora; Fallopia multiflora; Gnetum latifolium; Goniothalamus malayanus
COCONUT organism records88
COCONUT identifierCNP0106089.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.