NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta,15-alpha-dihydroxy lanosta-7,9(11),24-triene-21-oic acid
NPACT-IdNPACT00114
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 10 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVTFXYKFLDFEOFQ-IMPRGPNHSA-N
InChi1S/C29H46O4/c1-17-7-14-28(24(31)32)15-9-21-27(6)12-8-19-25(3,4)22(30)11-13-26(19,5)20(27)10-16-29(21,33)23(28)18(17)2/h10,16-23,30,33H,7-9,11-15H2,1-6H3,(H,31,32)/t17-,18-,19-,20+,21-,22-,23-,26-,27+,28-,29+/m0/s1
SMILESC1C[C@@H](C([C@@H]2[C@@H]1C1=CC[C@@]3([C@H](C[C@@H]([C@]3(C1=CC2)C)O)[C@@H](CCC=C(C)C)C(=O)O)C)(C)C)O
SMART[#6]C([#6])=C/CC[C@H]([C@H]1C[C@H](O)[C@@]2([#6])C3=CC[C@H]4[C@@H](CC[C@H](O)[C@]4([#6])[#6])C3=CC[C@]12[#6])C(O)=O
CAS No.226406-72-0
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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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