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Aloin (Barbaloin)

CAT: 0957-S2375Size: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S2375Size:100 mg
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Description
Aloin (Barbaloin), a natural anthracycline from Aloe vera, is a tyrosinase inhibitor.
CAS Number
1415-73-2
Synonyms
Barbalin
Target
Tyrosinase
Activity
Proteases
Molecular Formula
C21H22O9
Storage Conditions
2 years -80 in solvent

Chemical Information

Barbaloin

Aloin A is a C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9S diastereoisomer). It has a role as a metabolite and a laxative. It is a C-glycosyl compound, a member of phenols, a cyclic ketone and a member of anthracenes.

CAS Number1415-73-2
PubChem CID12305761
IUPAC Name(10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Molecular FormulaC21H22O9
Molecular Weight418.4
XLogP-0.1
Topological Polar Surface Area168
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity630
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C([C@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO
InChI
InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
InChIKey
AFHJQYHRLPMKHU-OSYMLPPYSA-N
Chemical Structure
2D Structure
2D structure of Barbaloin
CAS: 1415-73-2
CID: 12305761
Formula: C21H22O9
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP3-0.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass418.12638228
Monoisotopic Mass418.12638228
Topological Polar Surface Area168 Ų
Heavy Atom Count30
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
S0936-01Aloin B
S0936-5mgAloin B
E1242-01Barbadin
E1242-25mgBarbadin
E1242-1gBarbadin
E1242-100mgBarbadin
E1242-5mgBarbadin

Alternative Products

CatalogName
MBS384319-01Aloin (Barbaloin)
299905Aloin A (Barbaloin A)
RM-A310006-01Barbaloin; Aloin
A10058-200Aloin (Barbaloin) 200mg
A10058-50Aloin (Barbaloin) 50mg
A10058-500Aloin (Barbaloin) 500mg
A10058-100Aloin (Barbaloin) 100mg
MA05054-01Aloin, mixture of Aloin A and Aloin B
TBZ2646Aloin
TRC-A575415-100MGAloin A

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