NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundTrichothecinol A
NPACT-IdNPACT01353
IUPAC-
Synonyms-
PubChem Id10472929
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRVOJMELIZZNGBE-DUGZWPNFSA-N
InChi1S/C19H24O6/c1-5-6-13(21)25-15-14(22)16-19(9-23-19)18(15,4)17(3)8-11(20)10(2)7-12(17)24-16/h5-7,12,14-16,22H,8-9H2,1-4H3/b6-5-/t12-,14-,15-,16-,17+,18-,19+/m1/s1
SMILESO1[C@@]2([C@]3([C@@]4([C@H](O[C@@H]2[C@H](O)[C@H]3OC(=O)/C=CC)C=C(C(=O)C4)C)C)C)C1
SMART[H]O[C@]1([H])[C@@]([H])(OC(=O)C([H])=C([H])C([H])([H])[H])[C@@]2(C([H])([H])[H])[C@@]3(OC3([H])[H])[C@]1([H])O[C@]1([H])C([H])=C(C([H])([H])[H])C(=O)C([H])([H])[C@]21C([H])([H])[H]
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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