NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound(R)-antofine
NPACT-IdNPACT01051
IUPAC-
Synonyms(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine;2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline;dibenzo[f,h]pyrrolo[1,2-b]isoquinoline, 9,11,12,13,13a,14-hexahydro-2,3,6-trimethoxy-, (13aR)-
PubChem Id639288
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNCVWJDISIZHFQS-CQSZACIVSA-N
InChi1S/C23H25NO3/c1-25-15-6-7-16-18(10-15)20-12-23(27-3)22(26-2)11-19(20)17-9-14-5-4-8-24(14)13-21(16)17/h6-7,10-12,14H,4-5,8-9,13H2,1-3H3/t14-/m1/s1
SMILESO(c1cc2c3C[C@@H]4N(CCC4)Cc3c3c(c2cc1OC)cc(OC)cc3)C
SMART[H]C1=C([H])C2=C(C([H])=C1OC([H])([H])[H])C1=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C1C1=C2C([H])([H])[N@@]2C([H])([H])C([H])([H])C([H])([H])[C@]2([H])C1([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C473343
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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