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Garcinone E

CAT: 0931-TN4113Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4113Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112649-21-5
Target
Apoptosis, Antifection
Related Pathways
Microbiology/Virology, Apoptosis
Bioactivity
Garcinone E is active constituents in the anticomplement assay used. Garcinone E exhibits potent activity in vitro against Plasmodium falciparum chloroquine-resistant strain W2, with IC50 values below 3 μM. It has potent cytotoxic effect on all hepatocellular carcinomas cell lines as well as on the other gastric and lung cancer cell lines included in the screen, may be potentially useful for the treatment of certain types of cancer.
Smiles
O=C1C2=C(O)C(=C(O)C=C2OC3=C1C(=C(O)C(O)=C3CC=C(C)C)CC=C(C)C)CC=C(C)C
Molecular Formula
C28H32O6
Molecular Weight
464.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Garcinone E

Garcinone E is a member of xanthones.

CAS Number112649-21-5
PubChem CID10298511
IUPAC Name2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-enyl)xanthen-9-one
Molecular FormulaC28H32O6
Molecular Weight464.5
XLogP7.9
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity817
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3C2=O)CC=C(C)C)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
InChIKey
WVJYEKGQSBGNRP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Garcinone E
CAS: 112649-21-5
CID: 10298511
Formula: C28H32O6
MW: 464.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.5
XLogP37.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass464.21988874
Monoisotopic Mass464.21988874
Topological Polar Surface Area107 Ų
Heavy Atom Count34
Formal Charge0
Complexity817
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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