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Avarol

CAT: 0931-T69106-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69106-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55303-98-5
Target
Others, HIV Protease, Antibacterial
Related Pathways
Microbiology/Virology, Others, Proteases/Proteasome
Bioactivity
Avarol induces apoptosis in pancreatic ductal adenocarcinoma cells by activating PERK-eIF2α-CHOP signaling. Avarl also acts as a competitive AChE inhibitor which are non-hepatotoxic and neuroprotective agents for Alzheimer's disease.
Smiles
C([C@@]1(C)[C@]2([C@](C)(CC[C@@H]1C)C(C)=CCC2)[H])C3=C(O)C=CC(O)=C3
Molecular Formula
C21H30O2
Molecular Weight
314.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Avarol

avarol has been reported in Pleraplysilla spinifera, Dysidea avara, and Dysidea with data available.

CAS Number55303-98-5
PubChem CID72185
IUPAC Name2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity470
SMILES
C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C
InChI
InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1
InChIKey
JSPUCPNQXKTYRO-LWILDLIXSA-N
Chemical Structure
2D Structure
2D structure of Avarol
CAS: 55303-98-5
CID: 72185
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass314.224580195
Monoisotopic Mass314.224580195
Topological Polar Surface Area40.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN11220-01Avarone

Alternative Products

CatalogName
ALX-350-319-M001Avarol
MBS6117544-01Avarol (NSC 306951)
441931-01Avarol discontinued. See 044574

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