NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundsanggenon A
NPACT-IdNPACT01310
IUPAC-
Synonyms2H,6H-Benzofuro(3,2-b)pyrano(3,2-g)(1)benzopyran-6-one,6a,11b-dihydro-5,6a,9-trihydroxy-2,2-dimethyl-11b-(3-methyl-2-butenyl)-, (6aS,11bR)-
PubChem Id156707
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWDKDKBZGSVJWSD-JWQCQUIFSA-N
InChi1S/C25H24O7/c1-13(2)7-10-24-16-6-5-14(26)11-18(16)32-25(24,29)22(28)20-19(31-24)12-17-15(21(20)27)8-9-23(3,4)30-17/h5-9,11-12,26-27,29H,10H2,1-4H3/t24-,25-/m1/s1
SMILESO1[C@]2([C@@](Oc3c2ccc(O)c3)(O)C(=O)c2c1cc1OC(C=Cc1c2O)(C)C)CC=C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])[C@]1(OC3=C(C(O[H])=C4C([H])=C([H])[C@@](OC4=C3[H])(C([H])([H])[H])C([H])([H])[H])C(=O)[C@@]1(O[H])O2)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.76464-71-6
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   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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