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Stilbenes

2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol

山药素V

PHY-NP-02162 · Natural product research catalog

Catalog numberPHY-NP-02162
CAS number65817-45-0
Molecular formulaC17H20O4
Molecular weight288.343 g/mol
Chemical classStilbenes
Main reported sourceDioscorea floribunda
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol

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10 mgRequest quoteTo be confirmedConfirm in quotation
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50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol 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 name2-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
SMILESCOC1=CC(=CC(=C1OC)OC)CCC2=CC=CC=C2O
InChIKeyCCENYSCLQOJNIC-UHFFFAOYSA-N
Subclass / scaffoldMonomeric stilbenes
PubChem CID12888722

Computed properties

Exact mass (Da)288.1362Predicted LogP3.2032
Predicted TPSA (Ų)47.92H-bond donors1
H-bond acceptors4Rotatable bonds6

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

View additional properties & classification
Ring count2
Aromatic rings2
Fraction Csp³0.294
Synthetic accessibility score1.85
QED score0.886
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassStilbenoids
NPClassifier classMonomeric stilbenes
Parent SMILESCOc1cc(CCc2ccccc2O)cc(OC)c1OC
Parent formulaC17H20O4
Parent molecular weight288.343
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceDioscorea floribunda
Reported source familiesDioscoreaceae; Ericaceae

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

View occurrence records & references
LOTUS / Wikidata speciesDioscorea floribunda[1]; Dioscorea preussii[1]; Empetrum nigrum[1]
All reported source familiesDioscoreaceae[2]; Ericaceae[1]
LOTUS species records3
LOTUS reference records2
COCONUT occurrence recordsDioscorea floribunda; Dioscorea opposita; Dioscorea polystachya; Dioscorea preussii; Empetrum nigrum
COCONUT organism records5
COCONUT identifierCNP0352853.0

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.