NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundScullcapflavone II
NPACT-IdNPACT00942
IUPAC5-hydroxy-2-(2-hydroxy-6-methoxyphenyl)-6,7,8-trimethoxychromen-4-one
SynonymsNeobaicalein
PubChem Id124211
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGMQFOKBGMKVUQZ-UHFFFAOYSA-N
InChi1S/C19H18O8/c1-23-11-7-5-6-9(20)13(11)12-8-10(21)14-15(22)17(24-2)19(26-4)18(25-3)16(14)27-12/h5-8,20,22H,1-4H3
SMILESo1c2c(c(O)c(OC)c(OC)c2OC)c(=O)cc1c1c(OC)cccc1O
SMART[#6]OC1=CC=CC(O)=C1C1=CC(=O)C2=C(O)C(O[#6])=C(O[#6])C(O[#6])=C2O1
CAS No.55084-08-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemFrog, ZINC, 
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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