NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound14,15-beta-dihydroxyklaineanone
NPACT-IdNPACT01409
IUPAC-
Synonyms-
PubChem Id10883790
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNWNMAVFXIRDAPM-RELKVJPISA-N
InChi1S/C20H28O8/c1-7-5-10(21)15(24)18(3)9(7)6-11-19(4)14(18)13(23)12(22)8(2)20(19,27)16(25)17(26)28-11/h5,8-9,11-16,22-25,27H,6H2,1-4H3/t8-,9-,11+,12+,13-,14+,15+,16-,18-,19+,20-/m0/s1
SMILESO1[C@H]2[C@@]3([C@@H]([C@@]4([C@@H](C2)C(=CC(=O)[C@H]4O)C)C)[C@@H](O)[C@H](O)[C@@H]([C@]3(O)[C@@H](O)C1=O)C)C
SMART[#6][C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@@]3([#6])[C@H](O)C(=O)C=C([#6])[C@@H]3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23[#6]
CAS No.-
Structure
Download

Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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