NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound10,13-dibenzoyltaxacustin
NPACT-IdNPACT01458
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIGGUEFIXYNEBRL-GSUSTLCMSA-N
InChi1S/C42H48O16/c1-20-29(56-37(49)25-13-9-11-15-27(25)47)18-41(39(6,7)51)32(20)33(57-38(50)26-14-10-12-16-28(26)48)35(54-22(3)44)40(8)30(53-21(2)43)17-31-42(19-52-31,58-24(5)46)34(40)36(41)55-23(4)45/h9-16,29-31,33-36,47-48,51H,17-19H2,1-8H3/t29-,30-,31+,33+
SMILES[C@@H]1([C@@H](C2=C([C@H](C[C@]2([C@H](C2[C@]1([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)OC(=O)C)C)OC(=O)C)C(C)(O)C)OC(=O)c1c(cccc1)O)C)OC(=O)c1c(cccc1)O)OC(=O)C
SMART[#6]C(=O)O[C@H]1C[C@H]2OC[C@@]2(OC([#6])=O)C2[C@H](OC([#6])=O)[C@@]3(C[C@H](OC(=O)C4=C(O)C=CC=C4)C([#6])=C3[C@@H](OC(=O)C3=C(O)C=CC=C3)[C@H](OC([#6])=O)[C@]12[#6])C([#6])([#6])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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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