NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDehydrosulphurenic acid
NPACT-IdNPACT00487
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 10 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLIVBXKAVLWBDCR-PDYCUTJYSA-N
InChi1S/C30H46O4/c1-17(2)18(3)8-9-21(27(33)34)24-16-26(32)30(7)23-12-11-22-19(10-13-25(31)28(22,4)5)20(23)14-15-29(24,30)6/h12,14,17,19,21-22,24-26,31-32H,3,8-11,13,15-16H2,1-2,4-7H3,(H,33,34)/t19-,21+,22-,24+,25-,26-,29+,30+/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)C(=O)O)C)(C)C)O
SMART[#6][C@H]([#6])C(=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.-
Structure
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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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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