NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTuberculatin
NPACT-IdNPACT00995
IUPAC9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Synonyms-
PubChem Id10391676
ClassLignans
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsTNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyXIARCTMJGANPJU-AYRHNUGRSA-N
InChi1S/C26H24O11/c1-31-17-6-13-14(7-18(17)32-2)22(37-25-23(28)26(30,9-27)10-34-25)15-8-33-24(29)21(15)20(13)12-3-4-16-19(5-12)36-11-35-16/h3-7,23,25,27-28,30H,8-11H2,1-2H3/t23-,25-,26+/m0/s1
SMILESO1[C@@H](Oc2c3c(c(c4c2cc(OC)c(OC)c4)c2cc4OCOc4cc2)C(=O)OC3)[C@H](O)[C@](O)(C1)CO
SMART[H]OC([H])([H])[C@@]1(O[H])C([H])([H])O[C@@]([H])(OC2=C3C(C(=O)OC3([H])[H])=C(C3=C([H])C4=C(OC([H])([H])O4)C([H])=C3[H])C3=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C23)[C@]1([H])O[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C103139
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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