NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound20-hydroxy-12-deoxyphorbol angelate
NPACT-IdNPACT00070
IUPAC-
SynonymsBryonolic acid
PubChem Id6506231
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGFAGCYRBGVCTPP-MDYQULRUSA-N
InChi1S/C25H34O6/c1-7-13(2)21(28)31-24-10-15(4)25(30)17(19(24)22(24,5)6)9-16(12-26)11-23(29)18(25)8-14(3)20(23)27/h7-9,15,17-19,26,29-30H,10-12H2,1-6H3/b13-7+/t15-,17+,18-,19-,23-,24+,25-/m1/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)/C(=C/C)/C
SMARTOCC1=C[C@H]2[C@@H]3[C@@]([#6])([#6])[C@@]3(C[C@@H]([#6])[C@]2(O)[C@@H]2C=C([#6])C(=O)[C@@]2(O)C1)OC(=O)C([#6])=C[#6]
CAS No.57852-42-3
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   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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