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Gomisin J

CAT: 0931-T3904-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T3904-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66280-25-9
Target
AMPK, CaMK, Calcium Channel, NF-κB, Nrf2, NO Synthase
Related Pathways
Chromatin/Epigenetic, Neuroscience, PI3K/Akt/mTOR signaling, NF-κB, Metabolism, Immunology/Inflammation, Membrane transporter/Ion channel
Purity
0.9969
Bioactivity
Gomisin J is a natural product and have vasodilatory activity. Gomisin J suppresses lipid accumulation by regulating the expression of lipogenic and lipolytic enzymes and inflammatory molecules through activation of AMPK, LKB1 and Ca2+/calmodulin-dependent protein kinase II and inhibition of fetuin-A in HepG2 cells.
Smiles
COc1c(O)cc2CC(C)C(C)Cc3cc(O)c(OC)c(OC)c3-c2c1OC
Molecular Formula
C22H28O6
Molecular Weight
388.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gomisin J

Gomisin J is a tannin.

CAS Number66280-25-9
PubChem CID3001686
IUPAC Name(9S,10R)-3,4,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-5,14-diol
Molecular FormulaC22H28O6
Molecular Weight388.5
XLogP4.6
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity457
SMILES
C[C@@H]1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C[C@@H]1C)O)OC)OC)OC)OC)O
InChI
InChI=1S/C22H28O6/c1-11-7-13-9-15(23)19(25-3)21(27-5)17(13)18-14(8-12(11)2)10-16(24)20(26-4)22(18)28-6/h9-12,23-24H,7-8H2,1-6H3/t11-,12+
InChIKey
PICOUNAPKDEPCA-TXEJJXNPSA-N
Chemical Structure
2D Structure
2D structure of Gomisin J
CAS: 66280-25-9
CID: 3001686
Formula: C22H28O6
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass388.18858861
Monoisotopic Mass388.18858861
Topological Polar Surface Area77.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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