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14-Episinomenine

CAT: 0804-HY-N11132-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N11132-01Size:1 mg
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Description
14-Episinomenine is an alkaloid that can be isolated from Stephania cepharantha[1].
CAS Number
60761-53-7
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/14-episinomenine.html
Solubility
10 mM in DMSO
Smiles
OC1=C(OC)C=CC2=C1[C@]3(C4)[C@@]([C@@](C2)([H])N(C)CC3)([H])C=C(OC)C4=O
Molecular Formula
C19H23NO4
Molecular Weight
329.39
References & Citations
[1]KASHIWABA, N., et al. Alkaloidal Constituents of the Tubers of Stephania cepharantha Cultivated in Japan: Structure of 3,4-Dehydrocycleanine, a New Bisbenzylisoquinoline Alkaloid. CHEMICAL & PHARMACEUTICAL BULLETIN. 1997, 45 (3), 470–475.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

14-Episinomenine

14-Episinomenine has been reported in Stephania cephalantha with data available.

CAS Number60761-53-7
PubChem CID5393138
IUPAC Name(1R,9S,10R)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP2.2
Topological Polar Surface Area59
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity562
SMILES
CN1CC[C@@]23CC(=O)C(=C[C@H]2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC
InChI
InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13-,19+/m0/s1
InChIKey
INYYVPJSBIVGPH-WTOJCKNJSA-N
Chemical Structure
2D Structure
2D structure of 14-Episinomenine
CAS: 60761-53-7
CID: 5393138
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area59 Ų
Heavy Atom Count24
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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