NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound12-Deoxyphorbol 13-(9,10-methylene)undecanoate
NPACT-IdNPACT00036
IUPAC(1R,2R,6S,10R,11S,13R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-13-yl 8-[(1R,2R)-2-methylcyclopropyl]octanoate
SynonymsCyclopropaneoctanoic acid,2-methyl-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
PubChem Id10369667
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKNAMOBQWIKSMDZ-UWFUWAQRSA-N
InChi1S/C32H48O6/c1-19-13-23(19)11-9-7-6-8-10-12-26(34)38-31-16-21(3)32(37)24(27(31)29(31,4)5)15-22(18-33)17-30(36)25(32)14-20(2)28(30)35/h14-15,19,21,23-25,27,33,36-37H,6-13,16-18H2,1-5H3/t19-,21+,23-,24-,25?,27+,30+,31-,32+/m0/s1
SMILESO([C@@]12[C@@H](C1(C)C)[C@H]1[C@](O)([C@@H](C2)C)[C@@H]2[C@](O)(CC(=C1)CO)C(=O)C(=C2)C)C(=O)CCCCCCC[C@@H]1[C@H](C1)C
SMART[#6][C@H]1C[C@@H]1CCCCCCCC(=O)O[C@@]12C[C@@H]([#6])[C@]3(O)[C@H]4C=C([#6])C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1[C@@]2([#6])[#6]
CAS No.172997-84-1
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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