NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundtylophoridicine C
NPACT-IdNPACT01361
IUPAC-
Synonyms-
PubChem Id44443382
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKYCJLNMNKCNMOB-FQCMXHLOSA-N
InChi1S/C22H23NO5/c1-27-12-5-6-13-14(8-12)15-9-19(24)20(28-2)10-16(15)17-11-23(26)7-3-4-18(23)22(25)21(13)17/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22+,23?/m0/s1
SMILES[O-][N+]12[C@@H](CCC1)[C@@H](O)c1c(C2)c2c(c3c1ccc(OC)c3)cc(O)c(OC)c2
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C2C(=C1[H])C1=C(C([H])=C([H])C(OC([H])([H])[H])=C1[H])C1=C2C([H])([H])[N@+]2([O-])C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])[C@@]1([H])O[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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