NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundErystagallin A
NPACT-IdNPACT00559
IUPAC(6aS,11aS)-9-methoxy-2,10-bis(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
Synonyms-
PubChem Id10410005
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsPTPN1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyOOAXWUFECWLVEQ-IZZNHLLZSA-N
InChi1S/C26H30O5/c1-15(2)6-8-17-12-19-23(13-21(17)27)30-14-26(28)20-10-11-22(29-5)18(9-7-16(3)4)24(20)31-25(19)26/h6-7,10-13,25,27-28H,8-9,14H2,1-5H3/t25-,26+/m0/s1
SMILESO1[C@@H]2[C@](O)(c3c1c(c(OC)cc3)CC=C(C)C)COc1c2cc(c(O)c1)CC=C(C)C
SMART[H]OC1=C(C([H])=C2C(OC([H])([H])[C@@]3(O[H])C4=C(O[C@@]23[H])C(=C(OC([H])([H])[H])C([H])=C4[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])=C1[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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