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Polyphenols

Protosappanin A

原苏木素A

PHY-NP-04793 · Natural product research catalog

Catalog numberPHY-NP-04793
CAS number102036-28-2
Molecular formulaC15H12O5
Molecular weight272.256 g/mol
Chemical classPolyphenols
Main reported sourceBiancaea sappan
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Protosappanin A

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Product information

Protosappanin A is listed in the Polyphenols 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 name5,14,15-trihydroxy-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaen-10-one
SMILESC1C(=O)COC2=C(C=CC(=C2)O)C3=CC(=C(C=C31)O)O
InChIKeyMUKYVRVYBBYJSI-UHFFFAOYSA-N
Subclass / scaffold酚羟基×3
PubChem CID128001

Computed properties

Exact mass (Da)272.0685Predicted LogP1.9744
Predicted TPSA (Ų)86.99H-bond donors3
H-bond acceptors5Rotatable bonds0

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.133
Synthetic accessibility score2.64
QED score0.638
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
Parent SMILESO=C1COc2cc(O)ccc2-c2cc(O)c(O)cc2C1
Parent formulaC15H12O5
Parent molecular weight272.256
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceBiancaea sappan
Reported source familiesFabaceae; Zingiberaceae

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

View occurrence records & references
LOTUS / Wikidata speciesBiancaea sappan[7]; Alpinia japonica[1]; Biancaea decapetala[1]
All reported source familiesFabaceae[2]; Zingiberaceae[1]
LOTUS species records3
LOTUS reference records8
COCONUT occurrence recordsAlpinia japonica; Biancaea decapetala; Biancaea sappan; Bos taurus; Bubalus bubalis; Caesalpinia japonica; Caesalpinia sappan; heamatoxylon campechianum
COCONUT organism records8
COCONUT identifierCNP0114683.0

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.