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8-Oxocoptisine

CAT: 0804-HY-N8346Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N8346Size:5 mg
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Description
8-Oxocoptisine is a natural protoberberine alkaloid with anti-cancer activity[1].
CAS Number
19716-61-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/8-oxocoptisine.html
Purity
99.0
Solubility
DMSO : 2.08 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1N2C(C3=CC(OCO4)=C4C=C3CC2)=CC5=CC=C6C(OCO6)=C15
Molecular Formula
C19H13NO5
Molecular Weight
335.31
References & Citations
[1]Ping Qian, et al. Five new alkaloids from Coptidis Rhizoma-Euodiae Fructus couple and their cytotoxic activities against gastrointestinal cancer cells. Fitoterapia. 2014 Mar;93:74-80.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

8-Oxocoptisine

8-Oxocoptisine has been reported in Corydalis ternata, Corydalis yanhusuo, and other organisms with data available.

CAS Number19716-61-1
PubChem CID5245667
IUPAC Name5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-one
Molecular FormulaC19H13NO5
Molecular Weight335.3
XLogP2.8
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity621
SMILES
C1CN2C(=CC3=C(C2=O)C4=C(C=C3)OCO4)C5=CC6=C(C=C51)OCO6
InChI
InChI=1S/C19H13NO5/c21-19-17-11(1-2-14-18(17)25-9-22-14)5-13-12-7-16-15(23-8-24-16)6-10(12)3-4-20(13)19/h1-2,5-7H,3-4,8-9H2
InChIKey
UCAFJBSQKXVPDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Oxocoptisine
CAS: 19716-61-1
CID: 5245667
Formula: C19H13NO5
MW: 335.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.3
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass335.07937252
Monoisotopic Mass335.07937252
Topological Polar Surface Area57.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity621
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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