NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundSumatrol
NPACT-IdNPACT01337
IUPAC-
Synonyms(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-5-hydroxy-2-isopropenyl-8,9-dimethoxy-
PubChem Id442824
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZPEHYKMRUBEPSQ-XMCHAPAWSA-N
InChi1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1
SMILESO1[C@H]2[C@H](c3c(OC2)cc(OC)c(OC)c3)C(=O)c2c1c1C[C@@H](Oc1cc2O)C(=C)C
SMART[H]OC1=C([H])C2=C(C3=C1C(=O)[C@@]1([H])C4=C([H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C([H])=C4OC([H])([H])[C@@]1([H])O3)C([H])([H])[C@@]([H])(O2)C(=C(/[H])[H])C([H])([H])[H]
CAS No.82-10-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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