NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundErycristagallin
NPACT-IdNPACT00558
IUPAC2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonyms-
PubChem Id10362969
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVNTSSLCFFUCTNP-UHFFFAOYSA-N
InChi1S/C25H26O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,26-27H,7-8,13H2,1-4H3
SMILESo1c2c(c3c1c(CC=C(C)C)c(O)cc3)COc1c2cc(c(O)c1)CC=C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C1=C(C3=C(O1)C(=C(O[H])C([H])=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O2
CAS No.92533-56-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C477693
HIT   -
NCI-60 GI50 data   -
Suppliers Therapeutic Targets Database, 
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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