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Garcinone C

CAT: 0931-TN1673-03Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1673-03Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76996-27-5
Target
ATM/ATR, Antifection, STAT, AChR, CDK, Hedgehog/Smoothened
Related Pathways
GPCR/G Protein, Microbiology/Virology, Stem Cells, Cell Cycle/Checkpoint, PI3K/Akt/mTOR signaling, Neuroscience, JAK/STAT signaling, DNA Damage/DNA Repair
Purity
0.9992
Bioactivity
Garcinone C is a xanthone derivative extracted from Garcinia oblongifolia Champ with anti-inflammatory, astringency, and granulation-promoting activities. Garcinone C is an AChE inhibitor and has potential cytotoxic effects on certain cancers.
Smiles
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CCC(C)(C)O)c3c(=O)c2c1O
Molecular Formula
C23H26O7
Molecular Weight
414.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Garcinone C

Garcinone C is a member of xanthones.

CAS Number76996-27-5
PubChem CID44159808
IUPAC Name1,3,6,7-tetrahydroxy-8-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC23H26O7
Molecular Weight414.4
XLogP4.6
Topological Polar Surface Area127
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity656
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)O)CCC(C)(C)O)O)C
InChI
InChI=1S/C23H26O7/c1-11(2)5-6-12-14(24)9-17-19(21(12)27)22(28)18-13(7-8-23(3,4)29)20(26)15(25)10-16(18)30-17/h5,9-10,24-27,29H,6-8H2,1-4H3
InChIKey
HLOCLVMUASBDDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Garcinone C
CAS: 76996-27-5
CID: 44159808
Formula: C23H26O7
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.4
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass414.16785316
Monoisotopic Mass414.16785316
Topological Polar Surface Area127 Ų
Heavy Atom Count30
Formal Charge0
Complexity656
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