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humantenmine

CAS No.:
82354-38-9
Catalog Number:
AG00G67V
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00G67V
Chemical Name:
humantenmine
CAS Number:
82354-38-9
MDL Number:
MFCD20260333
IUPAC Name:
(1R,2S,4S,7R,8S)-6-ethyl-1'-methoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undec-5-ene-2,3'-indole]-2'-one
InChI:
InChI=1S/C19H22N2O3/c1-3-14-11-8-17-19(9-15(20-14)12(11)10-24-17)13-6-4-5-7-16(13)21(23-2)18(19)22/h4-7,11-12,15,17H,3,8-10H2,1-2H3/t11-,12+,15+,17-,19+/m1/s1
InChI Key:
BIGABVPVCRHEES-NWPJSNQLSA-N
Properties
Complexity:
591  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
[Study on anti-proliferation activity and the mechanisms of alkaloid monomers from Gelsemium elegans on HepG2 cell in vitro]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20120301
Gelsenicine from Gelsemium elegans attenuates neuropathic and inflammatory pain in mice. Biological & pharmaceutical bulletin 20110101
Isolation of gelsedine-type indole alkaloids from Gelsemium elegans and evaluation of the cytotoxic activity of gelsemium alkaloids for A431 epidermoid carcinoma cells. Journal of natural products 20060401
Properties