NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound15-alpha-acetyl dehydrosulphurenic acid
NPACT-IdNPACT00043
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 KeySLWXFSGQMUTGGV-QYLMLSRNSA-N
InChi1S/C32H48O5/c1-18(2)19(3)9-10-23(29(35)36)26-17-28(37-20(4)33)32(8)25-13-12-24-21(11-14-27(34)30(24,5)6)22(25)15-16-31(26,32)7/h13,15,18,21,23-24,26-28,34H,3,9-12,14,16-17H2,1-2,4-8H3,(H,35,36)/t21-,23+,24-,26+,27-,28-,31+,32+/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)OC(=O)C)[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](OC([#6])=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

 






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