BGC > CAS Search > 21499-66-1

Molecular Formula: C20H26O9
Molecular Weight: 410.416

Description :
Bruceine D is extracted from the barks of Ailanthus altissima. It is an inhibitor of hepatocellular carcinoma growth and inhibits the growth of three pancreatic cancer cell lines, which acts by targeting β-catenin/jagged1 pathways. It also induces cytotoxicity in Capan-2 cells by inducing cellular apoptosis involving the mitochondrial pathway. It may be used as a lead compound for new viricides, or a natural viricide.

• Molecular Weight :410.42
• Purity :98.5%

Molecular Formula :
C20H26O9
Canonical SMILES :
CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O
InChI :
InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
InChIKey :
JBDMZGKDLMGOFR-KQSRGDCESA-N
Appearance :
Powder
Synonyms :
Nsc318801; (1beta,11beta,12alpha,15beta)-13,20-Epoxy-1,11,12,14,15-pentahydroxypicras-3-ene-2,16-dione; Picras-3-ene-2,16-dione,13,20-epoxy-1,11,12,14,15-pentahydroxy-, (1b,11b,12a,15b)-; (1R,2S,3R,3aR,3a1R,4R,6aR,7aS,11S,11aS)-1,2,3a,4,11-pentahydroxy-3,8,11a-trimethyl-1,2,3,3a,4,7,7a,11,11a,11b-decahydro-5H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-5,10(6aH)-dione

More details are to be found here

Description :
Bruceine D is extracted from the barks of Ailanthus altissima. It is an inhibitor of hepatocellular carcinoma growth and inhibits the growth of three pancreatic cancer cell lines, which acts by targeting β-catenin/jagged1 pathways. It also induces cytotoxicity in Capan-2 cells by inducing cellular apoptosis involving the mitochondrial pathway. It may be used as a lead compound for new viricides, or a natural viricide.

• Molecular Weight :410.42
• Purity :98.5%

Molecular Formula :
C20H26O9
Canonical SMILES :
CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)C)O)O)C)O
InChI :
InChI=1S/C20H26O9/c1-7-4-9(21)13(23)17(2)8(7)5-10-19-6-28-18(3,14(24)11(22)12(17)19)20(19,27)15(25)16(26)29-10/h4,8,10-15,22-25,27H,5-6H2,1-3H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20+/m0/s1
InChIKey :
JBDMZGKDLMGOFR-KQSRGDCESA-N
Appearance :
Powder
Synonyms :
Nsc318801; (1beta,11beta,12alpha,15beta)-13,20-Epoxy-1,11,12,14,15-pentahydroxypicras-3-ene-2,16-dione; Picras-3-ene-2,16-dione,13,20-epoxy-1,11,12,14,15-pentahydroxy-, (1b,11b,12a,15b)-; (1R,2S,3R,3aR,3a1R,4R,6aR,7aS,11S,11aS)-1,2,3a,4,11-pentahydroxy-3,8,11a-trimethyl-1,2,3,3a,4,7,7a,11,11a,11b-decahydro-5H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-5,10(6aH)-dione

More details are to be found here