NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound8-epi-helenalin
NPACT-IdNPACT00203
IUPAC9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
SynonymsMexiconin I
PubChem Id52167
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZVLOPMNVFLSSAA-UHFFFAOYSA-N
InChi1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3
SMILESO1[C@@H]2[C@@H]([C@@H](O)[C@]3([C@H]([C@@H](C2)C)C=CC3=O)C)C(=C)C1=O
SMART[#6][C@@H]1C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@@]2([#6])[C@H]1C=CC2=O
CAS No.5945-41-5
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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