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Taraxerone

CAT: 0013-GTR19166586-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166586-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Taraxerone exhibits allelopathic and antifungal properties. In research models, it demonstrates a concentration-dependent ability to counteract ethanol-induced reductions in key antioxidant enzymes, including catalase, superoxide dismutase, and glutathione. This makes it a compound of interest for studying oxidative stress and hepatoprotection in both in vitro and in vivo systems.
CAS Number
514-07-8
Product Name Alternative
Alcohol, Aldehyde Dehydrogenase (ALDH), ALDH, ADH, Antifection, Inhibitor, inhibit, enhancer, Taraxerone
Field of Research
Metabolism Research
Solubility
DMSO:10 mM
Smiles
[H][C@@]12CC[C@@]3 (C) C4=CC[C@@]5 (C) CCC (C) (C) C[C@@]5 ([H]) [C@]4 (C) CC[C@]3 ([H]) [C@@]1 (C) CCC (=O) C2 (C) C
Molecular Formula
C30H48O
Molecular Weight
424.70
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Taraxerone

Taraxerone is a scalarane sesterterpenoid. It has a role as a metabolite.

CAS Number514-07-8
PubChem CID92785
IUPAC Name(4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one
Molecular FormulaC30H48O
Molecular Weight424.7
XLogP9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity831
SMILES
C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)C)C)(C)C
InChI
InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20-,22+,23+,27-,28-,29-,30+/m0/s1
InChIKey
DBCAVZSSFGIHQZ-YLAYQGCQSA-N
Chemical Structure
2D Structure
2D structure of Taraxerone
CAS: 514-07-8
CID: 92785
Formula: C30H48O
MW: 424.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.7
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass424.370516150
Monoisotopic Mass424.370516150
Topological Polar Surface Area17.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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