NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCoriaheptocin B
NPACT-IdNPACT00439
IUPAC(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Synonyms-
PubChem Id44566649
ClassPolyketides
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLHVHDMHDABWGLD-PBUIZIMXSA-N
InChi1S/C35H64O10/c1-3-4-5-6-7-8-9-10-11-12-13-29(39)30(40)16-14-27(37)22-28(38)23-32(42)34-19-18-33(45-34)31(41)17-15-26(36)21-25-20-24(2)44-35(25)43/h20,24,26-34,36-42H,3-19,21-23H2,1-2H3/t24-,26+,27-,28+,29+,30+,31+,32-,33+,34-/m0/s1
SMILESO1[C@@H](CC[C@@H]1[C@H](O)CC[C@@H](O)CC1=C[C@@H](OC1=O)C)[C@@H](O)C[C@H](O)C[C@@H](O)CC[C@@H](O)[C@H](O)CCCCCCCCCCCC
SMART[#6]CCCCCCCCCCC[C@@H](O)[C@H](O)CC[C@H](O)C[C@@H](O)C[C@H](O)[C@@H]1CC[C@@H](O1)[C@H](O)CC[C@@H](O)CC1=C[C@H]([#6])OC1=O
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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