NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCasearborin C
NPACT-IdNPACT00401
IUPAC[1,3-diacetyloxy-10-hydroxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl]4-hydroxybenzoate
Synonyms-
PubChem Id6367397
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCIQOXQMVAFIWID-SFQUDFHCSA-N
InChi1S/C31H38O9/c1-7-17(2)12-13-30(6)18(3)14-26(39-27(36)21-8-10-22(34)11-9-21)31-24(15-23(35)16-25(30)31)28(37-19(4)32)40-29(31)38-20(5)33/h7-12,15,18,23,25-26,28-29,34-35H,1,13-14,16H2,2-6H3/b17-12+
SMILESO1[C@@H](OC(=O)C)[C@]23[C@@H]([C@@]([C@H](C[C@H]2OC(=O)c2ccc(O)cc2)C)(C/C=C(C)/C=C)C)C[C@@H](O)C=C3[C@@H]1OC(=O)C
SMART[#6][C@H]1C[C@@H](OC(=O)C2=CC=C(O)C=C2)[C@@]23[C@H](OC([#6])=O)O[C@@H](OC([#6])=O)C2=C[C@H](O)C[C@@H]3[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 ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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