NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundRhinacanthin M
NPACT-IdNPACT00914
IUPAC[3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] benzoate
Synonyms1,4-naphthalenedione,2-[3-(benzoyloxy)-2,2-dimethylpropyl]-3-hydroxy-;Benzoic acid 3-(3-hydroxy-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-2,2-dimethyl-propyl ester;3-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2,2-dimethylpropyl benzoate
PubChem Id10808757
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 KeyIEHVESOICXKEAC-UHFFFAOYSA-N
InChi1S/C22H20O5/c1-22(2,13-27-21(26)14-8-4-3-5-9-14)12-17-18(23)15-10-6-7-11-16(15)19(24)20(17)25/h3-11,23H,12-13H2,1-2H3
SMILESO(CC(CC1=C(O)c2c(C(=O)C1=O)cccc2)(C)C)C(=O)c1ccccc1
SMART[#6][C@]([#6])(COC(=O)C1=CC=CC=C1)CC1=C(O)C2=CC=CC=C2C(=O)C1=O
CAS No.205653-95-8
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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