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Diarylheptanoids

Curcumin glucuronide

姜黄色素

PHY-NP-02113 · Natural product research catalog

Catalog numberPHY-NP-02113
CAS number227466-72-0
Molecular formulaC27H28O12
Molecular weight544.509 g/mol
Chemical classDiarylheptanoids
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Curcumin glucuronide

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

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Product information

Curcumin glucuronide is listed in the Diarylheptanoids 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(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenoxy]oxane-2-carboxylic acid
SMILESCOC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)OC)O
InChIKeyBNSAVBGHRVFVNN-XSCLDSQRSA-N
Subclass / scaffoldLinear diarylheptanoids
PubChem CID71315012

Computed properties

Exact mass (Da)544.1581Predicted LogP0.9353
Predicted TPSA (Ų)189.28H-bond donors5
H-bond acceptors11Rotatable bonds11

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

View additional properties & classification
Ring count3
Aromatic rings2
Fraction Csp³0.296
Synthetic accessibility score4.03
QED score0.199
Lipinski rule violations2
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassDiarylheptanoids
NPClassifier classLinear diarylheptanoids
Parent SMILESCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O
Parent formulaC27H28O12
Parent molecular weight544.509
Specified stereocenters5
Unspecified stereocenters0

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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.