Polyketides

Aloenin

芦荟宁A

PHY-NP-11968 · Natural product research catalog

Catalog number	PHY-NP-11968
CAS number	38412-46-3
Molecular formula	C₁₉H₂₂O₁₀
Molecular weight	410.375 g/mol
Chemical class	Polyketides
Main reported source	Aloe arborescens
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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5 mg	Request quote	To be confirmed	Confirm in quotation
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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Aloenin is listed in the Polyketides 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.

IUPAC name	6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
SMILES	CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChIKey	KFJNVVJUICKJEQ-LQDZTQBFSA-N
Subclass / scaffold	Cyclic polyketides：2-pyrone derivatives
PubChem CID	162305

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

View additional properties & classification

Ring count	3
Aromatic rings	2
Fraction Csp³	0.421
Synthetic accessibility score	4.03
QED score	0.435
Lipinski rule violations	0
NPClassifier pathway	Polyketides
NPClassifier superclass	Cyclic polyketides
NPClassifier class	2-pyrone derivatives
Parent SMILES	COc1cc(-c2c(C)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)oc(=O)c1
Parent formula	C₁₉H₂₂O₁₀
Parent molecular weight	410.375
Specified stereocenters	5
Unspecified stereocenters	0

Main reported source	Aloe arborescens
Reported source families	Asphodelaceae

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

View occurrence records & references

LOTUS / Wikidata species	Aloe arborescens[9]; Aloe kedongensis[2]; Aloe vera[2]; Aloe africana[1]; Aloe brachystachys[1]; Aloe bussei[1]; Aloe camperi[1]; Aloe cheranganiensis[1]; Aloe classenii[1]; Aloe dawei[1]; Aloe dorotheae[1]; Aloe elgonica[1]; Aloe gossweileri[1]; Aloe leachii[1]; Aloe leptosiphon[1]
All reported source families	Asphodelaceae[23]
LOTUS species records	23
LOTUS reference records	14
COCONUT occurrence records	Aloe africana; Aloe arborescence; Aloe arborescens; Aloe brachystachys; Aloe bussei; Aloe camperi; Aloe cheranganiensis; Aloe classenii; Aloe dawei; Aloe dorotheae; Aloe elgonica; Aloe ferox; Aloe gossweileri; Aloe kedongensis; Aloe leachii; Aloe leptosiphon; Aloe macrosiphon; Aloe monticola; Aloe nyeriensis; Aloe secundiflora; Aloe sobolifera; Aloe sp.; Aloe spicata; Aloe tororoana; Aloe ukambensis; Aloe vera; Deutzia scabra; Lycium halimifolium; Montanoa hexagona; aloe brandhamii
COCONUT organism records	30
COCONUT identifier	CNP0154607.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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