NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundLudovicin C
NPACT-IdNPACT01256
IUPAC-
SynonymsLudovicin C;AC1L3UN8;27740-15-4;(3aS,5aR,6S,9bS)-6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione;Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,6,7,9b-hexahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS-(3aalpha,5abeta,6alpha,9bbeta))-;
PubChem Id147182
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQPXLDBMZJNDASA-PBLBJHRBSA-N
InChi1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3/t9-,11-,13-,15-/m0/s1
SMILESO1[C@@H]2C3=C(C(=O)C[C@H](O)[C@@]3(CC[C@H]2C(=C)C1=O)C)C
SMART[H]O[C@@]1([H])C([H])([H])C(=O)C(=C2[C@@]3([H])OC(=O)C(=C([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])C([H])([H])[H]
CAS No.27740-15-4
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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