NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(+)-tylophorinidine
NPACT-IdNPACT01044
IUPAC-
Synonyms(13as,14s)-3,7-dimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline-6,14-diol;Dibenzo(f,h)pyrrolo(1,2-b)isoquinoline-6,14-diol, 9,11,12,13,13a,14-hexahydro-3,7-dimethoxy-, (13aS-trans)-
PubChem Id161749
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity Yes
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCMFIDYCYVJWPPL-PGRDOPGGSA-N
InChi1S/C22H23NO4/c1-26-12-5-6-13-14(8-12)15-9-19(24)20(27-2)10-16(15)17-11-23-7-3-4-18(23)22(25)21(13)17/h5-6,8-10,18,22,24-25H,3-4,7,11H2,1-2H3/t18-,22+/m0/s1
SMILESO[C@@H]1[C@H]2N(CCC2)Cc2c1c1c(c3c2cc(OC)c(O)c3)cc(OC)cc1
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@@]2C([H])([H])C([H])([H])C([H])([H])[C@@]2([H])[C@@]1([H])O[H]
CAS No.32523-69-6
Structure
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Cross Refrence in other databases
Super Natural   032523696
CTD   C032276
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
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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