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Corydaline

CAT: 0931-T5S2360-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T5S2360-01Size:5 mg
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CAS Number
518-69-4
Target
Cholinesterase (ChE), Opioid Receptor, Cytochromes P450, Virus Protease
Related Pathways
Endocrinology/Hormones, Microbiology/Virology, Neuroscience, GPCR/G Protein, Metabolism
Purity
0.9986
Bioactivity
1. Corydaline (Corydalin), an isoquinoline alkaloid, is one of the major active constituents in a new prokinetic botanical agent. 2. Corydaline promotes gastric emptying and small intestinal transit and facilitates gastric accommodation. 3. Corydaline exhibits the anti-acetylcholinesterase, antiallergic, and antinociceptive activities. 4. Corydaline has potent inhibition of CYP2C19 and CYP2C9.
Smiles
COc1cc2CCN3Cc4c(ccc(OC)c4OC)C(C)C3c2cc1OC
Molecular Formula
C22H27NO4
Molecular Weight
369.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(+)-Corydaline

Corydaline is an isoquinoline alkaloid and a member of isoquinolines.

CAS Number518-69-4
PubChem CID101301
IUPAC Name(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
Molecular FormulaC22H27NO4
Molecular Weight369.5
XLogP3.6
Topological Polar Surface Area40.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity503
SMILES
C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
InChI
InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
InChIKey
VRSRXLJTYQVOHC-YEJXKQKISA-N
Chemical Structure
2D Structure
2D structure of (+)-Corydaline
CAS: 518-69-4
CID: 101301
Formula: C22H27NO4
MW: 369.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight369.5
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass369.19400834
Monoisotopic Mass369.19400834
Topological Polar Surface Area40.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes