NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound(-)Garcinialiptone A
NPACT-IdNPACT00003
IUPAC(1S,3R,5S,7R,8S)-1-(3,4-dihydroxybenzoyl)-6,6-dimethyl-5-(3-methylbut-2-enyl)-8-(2-methylprop-1-enyl)-3-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)adamantane-2,4,9-trione
Synonyms-
PubChem Id46209649
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDKHLFUGLTCKVOA-HXBTULIHSA-N
InChi1S/C38H48O6/c1-21(2)11-12-26(24(7)8)19-36-20-28-27(17-23(5)6)38(33(36)43,31(41)25-13-14-29(39)30(40)18-25)34(44)37(32(36)42,35(28,9)10)16-15-22(3)4/h13-15,17-18,26-28,39-40H,1,7,11-12,16,19-20H2,2-6,8-10H3/t26?,27-,28+,36+,37-,38-/m0/s1
SMILESO=C1[C@@]2(C([C@H]3[C@@H]([C@@](C2=O)(C(=O)[C@@]1(C3)C[C@@H](CCC(=C)C)C(=C)C)C(=O)c1cc(O)c(O)cc1)C=C(C)C)(C)C)CC=C(C)C
SMART[#6]C([#6])=CC[C@]12C(=O)[C@@]3(C[C@@H](CCC([#6])=C)C([#6])=C)C[C@H]([C@H](C=C([#6])[#6])[C@](C(=O)C4=CC(O)=C(O)C=C4)(C3=O)C1=O)[C@]2([#6])[#6]
CAS No.-
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   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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