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Arjunolic acid

CAT: 0931-TN1403-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1403-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
465-00-9
Target
TNF, ROS, IL Receptor, Cholinesterase (ChE), Reactive Oxygen Species, JNK
Related Pathways
Neuroscience, NF-κB, MAPK, Immunology/Inflammation, Apoptosis, Metabolism
Purity
0.9974
Bioactivity
Arjunolic acid has antioxidant, anti-inflammatory, antinociceptive and anticholinesterasic (AChE and BuChE) activities, it may as promising targets for the development of innovative multi-functional medicines for Alzheimer desease treatment.
Smiles
[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4C5CC(C)(C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)C[C@@H](O)[C@H](O)[C@@]2(C)CO
Molecular Formula
C30H48O5
Molecular Weight
488.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arjunolic Acid

Arjunolic acid is a pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). Isolated from Symplocos lancifolia and Juglans sinensis, it exhibits antioxidant and antimicrobial activities. It has a role as an antioxidant, a metabolite, an antibacterial agent and an antifungal agent. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It is a conjugate acid of an arjunolate. It derives from a hydride of an oleanane.

CAS Number465-00-9
PubChem CID73641
IUPAC Name(4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular FormulaC30H48O5
Molecular Weight488.7
XLogP5.8
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count35
Formal Charge0
Complexity941
SMILES
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
InChI
InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey
RWNHLTKFBKYDOJ-DDHMHSPCSA-N
Chemical Structure
2D Structure
2D structure of Arjunolic Acid
CAS: 465-00-9
CID: 73641
Formula: C30H48O5
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP35.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass488.35017463
Monoisotopic Mass488.35017463
Topological Polar Surface Area98 Ų
Heavy Atom Count35
Formal Charge0
Complexity941
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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