NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCephalotaxine alpha-N-oxide
NPACT-IdNPACT01164
IUPAC-
Synonyms4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-, 7-oxide, (1S,7S,14bS)-;rel-(1R,7R,14bR)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol 7-oxide;;
PubChem Id637173
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAZWNRVNQMXFTSX-YRXWBPOGSA-N
InChi1S/C18H21NO5/c1-22-15-9-18-4-2-5-19(18,21)6-3-11-7-13-14(24-10-23-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+,19+/m1/s1
SMILES[O-][N@@+]12[C@@]3([C@@H]([C@H](O)C(=C3)OC)c3c(CC2)cc2OCOc2c3)CCC1
SMART[H]O[C@]1([H])C(OC([H])([H])[H])=C([H])[C@]23C([H])([H])C([H])([H])C([H])([H])[N@+]2([O-])C([H])([H])C([H])([H])C2=C([H])C4=C(OC([H])([H])O4)C([H])=C2[C@]13[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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