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9,10-Dimethoxycanthin-6-one

CAT: 0804-HY-N7182Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N7182Size:1 Each
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Description
9,10-Dimethoxycanthin-6-one is an alkaloid compound. 9,10-Dimethoxycanthin-6-one exhibits NF-κB inhibitory effects with an IC50 of 19.5 μM[1].
CAS Number
155861-51-1
UNSPSC
12352005
Target
NF-κB
Type
Natural Products
Related Pathways
NF-κB
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/9-10-dimethoxycanthin-6-one.html
Solubility
10 mM in DMSO
Smiles
O=C1N2C3=C(N=CC=C3C4=C2C=C(OC)C(OC)=C4)C=C1
Molecular Formula
C16H12N2O3
Molecular Weight
280.28
References & Citations
[1]Thi Van Anh Tran, et al. NF-κB inhibitors from Eurycoma longifolia. J Nat Prod. 2014 Mar 28;77 (3) :483-8.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

9,10-Dimethoxycanthin-6-one

9,10-Dimethoxycanthin-6-one has been reported in Eurycoma longifolia with data available.

CAS Number155861-51-1
PubChem CID10446368
IUPAC Name12,13-dimethoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
Molecular FormulaC16H12N2O3
Molecular Weight280.28
XLogP2.4
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity466
SMILES
COC1=C(C=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3)OC
InChI
InChI=1S/C16H12N2O3/c1-20-13-7-10-9-5-6-17-11-3-4-15(19)18(16(9)11)12(10)8-14(13)21-2/h3-8H,1-2H3
InChIKey
VKMIBFAQYHUWCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9,10-Dimethoxycanthin-6-one
CAS: 155861-51-1
CID: 10446368
Formula: C16H12N2O3
MW: 280.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.28
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass280.08479225
Monoisotopic Mass280.08479225
Topological Polar Surface Area53.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity466
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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