NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundartocarpin
NPACT-IdNPACT00837
IUPAC2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one
Synonyms2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-chromen-4-one;2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one
PubChem Id5458461
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKRGDFVQWQJIMEK-RMKNXTFCSA-N
InChi1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+
SMILESo1c2c(c(=O)c(c1c1c(O)cc(O)cc1)CC=C(C)C)c(O)c(c(OC)c2)/C=C/C(C)C
SMART[#6]OC1=C(C=CC([#6])[#6])C(O)=C2C(OC(=C(CC=C([#6])[#6])C2=O)C2=C(O)C=C(O)C=C2)=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C111536
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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