NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBucidarasin B
NPACT-IdNPACT00349
IUPAC[(1R,3S,5S,6aR,7S,8S)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 2-methylpropanoate
SynonymsCasearlucin A
PubChem Id10414276
ClassTerpenoids
In-vitro anticancer activtiy 13 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFGGPIWICAGRSLN-JUOLQFDPSA-N
InChi1S/C29H42O8/c1-9-16(3)11-12-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)17(4)10-2/h9,11,14,17-18,21,23-24,26-27,32H,1,10,12-13,15H2,2-8H3/b16-11+/t17?,18-,21+,23+,24+,26+,27-,28-,29?/m0/s1
SMILESO1[C@H](OC(=O)C)[C@]23[C@@H]([C@]([C@H](C[C@H]2O)C)(C/C=C(C)/C=C)C)C[C@H](OC(=O)[C@H](CC)C)C=C3[C@@H]1OC(=O)C
SMART[#6]C[C@H]([#6])C(=O)O[C@H]1C[C@H]2[C@@]3([C@@H](OC([#6])=O)O[C@@H](OC([#6])=O)C3=C1)[C@H](O)C[C@H]([#6])[C@]2([#6])CC=C(/[#6])C=C
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C456403
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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