NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBucidarasin C
NPACT-IdNPACT00350
IUPAC[(4aR,5S,6S,8aR)-8a-(acetyloxymethyl)-5,6-dimethyl-5-[(2E)-3-methylpenta-2,4-dienyl]-3-oxo-4a,6,7,8-tetrahydro-4H-naphthalen-1-yl]methyl acetate
Synonyms-
PubChem Id11755249
ClassTerpenoids
In-vitro anticancer activtiy 13 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZORWLQPVCJDDHT-GMGUNDJRSA-N
InChi1S/C28H40O7/c1-9-17(4)10-12-27(8)18(5)11-13-28-22(14-21(15-23(27)28)34-24(31)16(2)3)25(32-19(6)29)35-26(28)33-20(7)30/h9-10,14,16,18,21,23,25-26H,1,11-13,15H2,2-8H3/b17-10+/t18-,21+,23+,25+,26-,27-,28?/m0/s1
SMILESO1[C@H](OC(=O)C)[C@]23[C@@H]([C@]([C@H](CC2)C)(C/C=C(C)/C=C)C)C[C@H](OC(=O)C(C)C)C=C3[C@@H]1OC(=O)C
SMARTC=CC([#6])=CC[C@@]1([#6])[C@@H]([#6])CC[C@@]23[C@H](O[C@@H](OC(=O)[#6])C2=C[C@H](C[C@H]13)OC(=O)[C@@H]([#6])[#6])OC(=O)[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C456404
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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