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Garcinone D

CAT: 0931-TN1674-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-TN1674-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107390-08-9
Target
STAT, Reactive Oxygen Species, ROS, Nrf2
Related Pathways
Immunology/Inflammation, Stem Cells, JAK/STAT signaling, NF-κB, Metabolism
Purity
0.9996
Bioactivity
Garcinone D shows significant cytotoxicity against the CEM-SS cell line, with IC (50) value of 3.2 microg/ml; it exhibits dose-dependent enzyme-based microsomal aromatase inhibitory activity. Garcinone D inhibits p65 activation with IC50 values of 3.2 microM.
Smiles
COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O
Molecular Formula
C24H28O7
Molecular Weight
428.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Garcinone D

Garcinone D is a member of xanthones.

CAS Number107390-08-9
PubChem CID5495926
IUPAC Name1,3,6-trihydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC24H28O7
Molecular Weight428.5
XLogP4.9
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity671
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CCC(C)(C)O)O)C
InChI
InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
InChIKey
TYALNCRUIKOKGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Garcinone D
CAS: 107390-08-9
CID: 5495926
Formula: C24H28O7
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass428.18350323
Monoisotopic Mass428.18350323
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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