NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundHolacurtinol
NPACT-IdNPACT01229
IUPAC-
Synonyms-
PubChem Id10624956
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySFUVPIJMDPWZBZ-CIOVMACQSA-N
InChi1S/C28H45NO6/c1-15(30)21-13-23(31)28(32)20-7-6-17-12-18(35-24-14-22(33-5)25(29)16(2)34-24)8-10-26(17,3)19(20)9-11-27(21,28)4/h6,16,18-25,31-32H,7-14,29H2,1-5H3/t16-,18+,19+,20-,21-,22+,23+,24+,25-,26+,27-,28-/m1/s1
SMILESO[C@]12[C@@]([C@H](C[C@@H]2O)C(=O)C)(CC[C@H]2[C@H]1CC=C1[C@@]2(CC[C@H](O[C@@H]2O[C@@H]([C@@H](N)[C@@H](OC)C2)C)C1)C)C
SMART[H]O[C@@]1([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])[C@@]([H])(C([H])([H])C([H])=C4C([H])([H])[C@@]([H])(O[C@]5([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(N([H])[H])[C@@]([H])(OC([H])([H])[H])C5([H])[H])C([H])([H])C([H])([H])[C@]34C([H])([H])[H])[C@@]12O[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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.