NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCamptothecin
NPACT-IdNPACT00389
IUPAC-
SynonymsAconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-
PubChem Id24360
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsTOP1MT |   All | 
Properties Physical   Elemental  Topological
InChi KeyVSJKWCGYPAHWDS-FQEVSTJZSA-N
InChi1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
SMILESO1Cc2c([C@@](O)(CC)C1=O)cc1n(Cc3c1nc1c(c3)cccc1)c2=O
SMART[H]O[C@@]1(C(=O)OC([H])([H])C2=C1C([H])=C1N(C2=O)C([H])([H])C2=C([H])C3=C([H])C([H])=C([H])C([H])=C3N=C12)C([H])([H])C([H])([H])[H]
CAS No.7689-03-4
Structure
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Cross Refrence in other databases
Super Natural   007689034
CTD   D002166
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, Calbiochem, ChemExper Chemical Directory, ChemMol, Hangzhou APIChem Technology, Jamson Pharmachem Technology, MolPort, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, Vitas-M Laboratory, ZINC, 
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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