NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundArtonol B
NPACT-IdNPACT00289
IUPAC5-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Synonyms-
PubChem Id10070979
ClassSimple aromatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJOYMAWFVFLOFKF-UHFFFAOYSA-N
InChi1S/C24H24O7/c1-10(25)16-17-13(24(4,5)31-22(17)28)8-12-19(27)18-14(26)9-15-11(20(18)29-21(12)16)6-7-23(2,3)30-15/h6-7,9,13,16-17,26H,8H2,1-5H3
SMILESO1C([C@H]2[C@H]([C@@H](c3oc4c(c(=O)c3C2)c(O)cc2OC(C=Cc42)(C)C)C(=O)C)C1=O)(C)C
SMART[H]OC1=C2C(=O)C3=C(OC2=C2C([H])=C([H])[C@@](OC2=C1[H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C(=O)C([H])([H])[H])[C@]1([H])C(=O)O[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]1([H])C3([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
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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