Description
2-Deacetoxytaxinine J is extracted from the heartwoods of Taxus cuspidata. It displays significant activity against breast cancer cell line at a concentration of 10 microM and 20 microM in MDA-MB-231and MCF-7 respectively in vitro.
Synonyms
2alpha-Deacetoxytaxinine J; Taxinin E
IUPAC Name
[(1R,3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
Molecular Formula
C37H46O10
Canonical SMILES
CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29+,30+,31+,34-,35+,37+/m1/s1
InChIKey
MIJTXBNFQDJTPL-PXORYUGNSA-N