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Xanthones

Garcinone E

PHY-NP-05220 · Natural product research catalog

Catalog numberPHY-NP-05220
CAS number112649-21-5
Molecular formulaC28H32O6
Molecular weight464.558 g/mol
Chemical classXanthones
Main reported sourceGarcinia mangostana
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Garcinone E

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Product information

Garcinone E is listed in the Xanthones 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 name2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
SMILESCC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)C
InChIKeyWVJYEKGQSBGNRP-UHFFFAOYSA-N
Subclass / scaffoldPlant xanthones
PubChem CID10298511

Computed properties

Exact mass (Da)464.2199Predicted LogP6.2947
Predicted TPSA (Ų)111.13H-bond donors4
H-bond acceptors6Rotatable bonds6

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

View additional properties & classification
Ring count3
Aromatic rings3
Fraction Csp³0.321
Synthetic accessibility score3.45
QED score0.194
Lipinski rule violations1
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassXanthones
NPClassifier classPlant xanthones
Parent SMILESCC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
Parent formulaC28H32O6
Parent molecular weight464.558
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceGarcinia mangostana
Reported source familiesClusiaceae; Hypericaceae

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

View occurrence records & references
LOTUS / Wikidata speciesGarcinia mangostana[11]; Garcinia xipshuanbannaensis[3]; Pentadesma butyracea[2]; Garcinia costata[1]; Hypericum perforatum[1]
All reported source familiesClusiaceae[4]; Hypericaceae[1]
LOTUS species records5
LOTUS reference records17
COCONUT occurrence recordsActinopyga agassizi; Aplidium tabascum; Arcyria denudata; Ascochyta viciae; Aster bellidiastrum; Chromatium okenii; Cistanche salsa; Davidsoniella virescens; Dolomiaea souliei; Eucalyptus camaldulensis; Garcina xipshuanbannaensis; Garcinia Mangostana; Garcinia costata; Garcinia mangostana; Garcinia morella; Garcinia oblongifolia; Garcinia xipshuanbannaensis; Halimodendron halodendron; Hypericum perforatum; Lecanora kukunorensis; Leptogorgia sarmentosa; Lonicera hypoleuca; Myelochroa aurulenta; Neomeris annulata; Nicotiana sylvestris; Pentadesma butyracea; Piper wightii; Poria selecta; Scleronephthya pallida; Senecio vellereus
COCONUT organism records37
COCONUT identifierCNP0230030.0

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.