NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHolamine
NPACT-IdNPACT01230
IUPAC-
Synonyms-
PubChem Id12310548
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGPRZXDPWGLHIQE-QYYVTAPASA-N
InChi1S/C21H33NO/c1-13(23)17-6-7-18-16-5-4-14-12-15(22)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12,22H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-/m1/s1
SMILESO=C([C@@H]1[C@@]2([C@H]([C@H]3[C@@H]([C@@]4(C(=CC3)C[C@H](N)CC4)C)CC2)CC1)C)C
SMART[H]N([H])[C@@]1([H])C([H])([H])C2=C([H])C([H])([H])[C@@]3([H])[C@]4([H])C([H])([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[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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