NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundRhinacanthin I
NPACT-IdNPACT00912
IUPAC-
Synonyms-
PubChem Id-
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYBGLCEKFZBMXSA-KGZWWPETSA-N
InChi1S/C25H30O6/c1-15(17(3)26)9-8-10-16(2)24(30)31-14-25(4,5)13-20-21(27)18-11-6-7-12-19(18)22(28)23(20)29/h6-7,10-12,17,26,29H,1,8-9,13-14H2,2-5H3/b16-10+/t17-/m0/s1
SMILESc1cccc2c1C(=O)C(=C(C2=O)O)CC(C)(C)COC(=O)/C(=C/CCC(=C)[C@H](C)O)/C
SMARTO[C@@H]([#6])C(=C)CCC=C(/[#6])C(=O)OC[C@@]([#6])([#6])CC1=C(O)C(=O)C2=CC=CC=C2C1=O
CAS No.205653-91-4
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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