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Lignans

Ananonin A

中泰南五味子素A

PHY-NP-05837 · Natural product research catalog

Catalog numberPHY-NP-05837
CAS number1314021-67-4
Molecular formulaC30H32O9
Molecular weight536.577 g/mol
Chemical classLignans
Main reported sourceKadsura ananosma
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Ananonin A

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Product information

Ananonin A is listed in the Lignans 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[(8R,9S,10R,11R)-11-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
SMILESC[C@@H]1[C@@H]([C@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]1O)OCO4)OC)OC)OC)OC)OC(=O)C5=CC=CC=C5)C
InChIKeyBRTOLBJWMZZPIU-ZKEYHTMCSA-N
Subclass / scaffoldDibenzocyclooctadienes lignans
PubChem CID53388465

Computed properties

Exact mass (Da)536.2046Predicted LogP5.334
Predicted TPSA (Ų)101.91H-bond donors1
H-bond acceptors9Rotatable bonds6

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

View additional properties & classification
Ring count5
Aromatic rings3
Fraction Csp³0.367
Synthetic accessibility score3.99
QED score0.419
Lipinski rule violations2
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassLignans
NPClassifier classDibenzocyclooctadienes lignans
Parent SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)[C@H]2OC(=O)c1ccccc1
Parent formulaC30H32O9
Parent molecular weight536.577
Specified stereocenters4
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceKadsura ananosma
Reported source familiesSchisandraceae

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

View occurrence records & references
LOTUS / Wikidata speciesKadsura ananosma[1]; Kadsura coccinea[1]
All reported source familiesSchisandraceae[2]
LOTUS species records2
LOTUS reference records1
COCONUT occurrence recordsKadsura ananosma; Kadsura coccinea
COCONUT organism records2
COCONUT identifierCNP0133435.1

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

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