NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundRhinacanthin Q
NPACT-IdNPACT00916
IUPAC[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]1,4-dimethoxynaphthalene-2-carboxylate
Synonyms-
PubChem Id10005113
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyPLRHCWSHDGZDQF-UHFFFAOYSA-N
InChi1S/C28H26O7/c1-28(2,14-21-23(29)17-10-6-7-11-18(17)24(30)25(21)31)15-35-27(32)20-13-22(33-3)16-9-5-8-12-19(16)26(20)34-4/h5-13,29H,14-15H2,1-4H3
SMILESO(CC(CC1=C(O)c2c(C(=O)C1=O)cccc2)(C)C)C(=O)c1c(OC)c2c(c(OC)c1)cccc2
SMART[#6]OC1=CC(C(=O)OC[C@]([#6])([#6])CC2=C(O)C3=CC=CC=C3C(=O)C2=O)=C(O[#6])C2=CC=CC=C12
CAS No.220860-32-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C117115
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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