NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundZeaxanthin
NPACT-IdNPACT01031
IUPAC(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SynonymsZeaxanthin;Anchovyxanthin;Beta,beta-carotene-3,3'-diol;(3R,3'R)-beta,beta-Carotene-3,3'-diol;Zeaxanthol;Xanthophyll 3;3R 3'R Zeaxanthin;3R,3'R-Zeaxanthin;(3R,3'R)-Zeaxanthin;(3R,3'R)-dihydroxy-beta,beta-carotene;(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol;(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol;(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem Id5280899
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsLOX |   All | 
Properties Physical   Elemental  Topological
InChi KeyJKQXZKUSFCKOGQ-QAYBQHTQSA-N
InChi1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
SMILESO[C@H]1CC(C(=C(C1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C=CC=C(C=CC1=C(C[C@@H](O)CC1(C)C)C)/C)/C)/C)/C)(C)C
SMART[H]O[C@]1([H])C([H])([H])C(=C(C([H])=C(/[H])C(=C(/[H])C([H])=C(/[H])C(=C(/[H])C([H])=C(/[H])C([H])=C(C([H])=C(/[H])C([H])=C(C([H])=C(/[H])C2=C(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])[C@@]2(C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@@](C([H])([H])[H])(C([H])([H])[H])C1([H])[H])C([H])([H])[H]
CAS No.144-68-3
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C005881
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, Ambinter, ChemMol, R&D Chemicals, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.