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6-Deoxyisojacareubin

CAT: 0013-GTR19182336Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182336Size:5 mg
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Description
6-Deoxyisojacareubin is a bioactive small molecule exhibiting moderate cytotoxicity against the QGY-7703 hepatoma cell line (IC50 = 9.65 μM) and demonstrates inhibitory activity against protein kinase C (PKC) . This compound is a useful research tool for investigating oncology signaling pathways and kinase function in vitro.
CAS Number
26486-92-0
Field of Research
Epigenetics & Chromatin, Infectious Disease & Virology, Signal Transduction
Smiles
CC1 (C) Oc2cc (O) c3c (oc4c (O) cccc4c3=O) c2C=C1
Molecular Formula
C18H14O5
Molecular Weight
310.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Deoxyisojacareubin

6-deoxyisojacareubin has been reported in Hypericum japonicum, Garcinia livingstonei, and other organisms with data available.

CAS Number26486-92-0
PubChem CID5464641
IUPAC Name6,11-dihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Molecular FormulaC18H14O5
Molecular Weight310.3
XLogP3.7
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity528
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C=CC=C4O)O)C
InChI
InChI=1S/C18H14O5/c1-18(2)7-6-9-13(23-18)8-12(20)14-15(21)10-4-3-5-11(19)16(10)22-17(9)14/h3-8,19-20H,1-2H3
InChIKey
XWRLBJDPJRDNKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Deoxyisojacareubin
CAS: 26486-92-0
CID: 5464641
Formula: C18H14O5
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass310.08412354
Monoisotopic Mass310.08412354
Topological Polar Surface Area76 Ų
Heavy Atom Count23
Formal Charge0
Complexity528
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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