NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound17-(methoxycarbonyl)-28-nor-isoiguesterin
NPACT-IdNPACT01402
IUPACmethyl (4aS,6aR,6aS,14aS,14bS)-10-hydroxy-6a,6a,9, 14a-tetramethyl-2-methylidene-11-oxo-1,3,4,5,6,13,14, 14b-octahydropicene-4a-carboxylate
Synonyms-
PubChem Id10411393
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCPFUJAKVJBYWJA-BTRWLOMLSA-N
InChi1S/C29H36O4/c1-17-9-10-29(25(32)33-6)14-13-27(4)22-8-7-19-18(2)24(31)21(30)16-20(19)26(22,3)11-12-28(27,5)23(29)15-17/h7-8,16,23,31H,1,9-15H2,2-6H3/t23-,26-,27+,28-,29-/m0/s1
SMILESO(C(=O)[C@]12[C@H]([C@]3([C@](CC1)(C1=CC=C4C(=CC(=O)C(=C4C)O)[C@@]1(CC3)C)C)C)CC(=C)CC2)C
SMART[#6]OC(=O)[C@]12CCC(=C)C[C@H]1[C@]1([#6])CC[C@@]3([#6])C4=CC(=O)C(O)=C([#6])C4=CC=C3[C@@]1([#6])CC2
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   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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