NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundLycoricidinol
NPACT-IdNPACT00732
IUPAC(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
SynonymsNarciclasine;Narciclasina;Lycorcidinol;Nacriclasine;Lycoricidin-A
PubChem Id72376
ClassAlkaloids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNOS2 | TNF |   All | 
Properties Physical   Elemental  Topological
InChi KeyLZAZURSABQIKGB-AEKGRLRDSA-N
InChi1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6-,9+,10+,12-/m0/s1
SMILESO[C@H]1[C@@H]2NC(=O)c3c(C2=C[C@H](O)[C@H]1O)cc1OCOc1c3O
SMART[H]OC1=C2C(=O)N([H])[C@]3([H])C(=C([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])O[H])C2=C([H])C2=C1OC([H])([H])O2
CAS No.29477-83-6
Structure
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Cross Refrence in other databases
Super Natural   000502658
CTD   C423646
HIT   C0126
NCI-60 GI50 data   29477-83-6
Suppliers AAA Chemistry, ABI Chem, Kingston Chemistry, 
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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