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Carnosol

CAT: 0931-T6S1302-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T6S1302-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5957-80-2
Target
Nrf2, Endogenous Metabolite, S6 Kinase
Related Pathways
Immunology/Inflammation, Metabolism, MAPK, PI3K/Akt/mTOR signaling
Purity
0.9983
Bioactivity
Carnosol is an Nrf2 activator, increasing Nrf2 levels and promoting heme oxygenase 1 (HMOX1) expression. It is a ribosomal S6 kinase (RSK2) inhibitor and can be used in gastric cancer-related research with an IC50 value of approximately 5.5 μM.
Smiles
CC(C)c1cc2[C@H]3C[C@H]4C(C)(C)CCC[C@@]4(C(=O)O3)c2c(O)c1O
Molecular Formula
C20H26O4
Molecular Weight
330.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Carnosol

Carnosol is a diterpenoid.

CAS Number5957-80-2
PubChem CID442009
IUPAC Name(1R,8S,10S)-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Molecular FormulaC20H26O4
Molecular Weight330.4
XLogP4.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity542
SMILES
CC(C)C1=C(C(=C2C(=C1)[C@@H]3C[C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O
InChI
InChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
InChIKey
XUSYGBPHQBWGAD-PJSUUKDQSA-N
Chemical Structure
2D Structure
2D structure of Carnosol
CAS: 5957-80-2
CID: 442009
Formula: C20H26O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass330.18310931
Monoisotopic Mass330.18310931
Topological Polar Surface Area66.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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