NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBucidarasin D
NPACT-IdNPACT00351
IUPAC[(5Z)-6,10,10-trimethyl-2-methylidene-7-oxo-8-bicyclo[7.2.0]undec-5-enyl] acetate
Synonyms-
PubChem Id44343868
ClassTerpenoids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQHDZTMQWNIFZKY-IILVVSKTSA-N
InChi1S/C24H34O5/c1-7-16(2)8-10-23(6)17(3)9-11-24(15-29-19(5)26)20(14-28-18(4)25)12-21(27)13-22(23)24/h7-8,12,17,22H,1,9-11,13-15H2,2-6H3/b16-8+/t17-,22+,23-,24-/m0/s1
SMILESO(C[C@@]12[C@@H]([C@]([C@H](CC1)C)(C/C=C(C)/C=C)C)CC(=O)C=C2COC(=O)C)C(=O)C
SMART[#6][C@H]1CC[C@@]2(COC([#6])=O)[C@H](CC(=O)C=C2COC([#6])=O)[C@@]1([#6])CC=C(/[#6])C=C
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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