NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCaracasine acid
NPACT-IdNPACT00391
IUPAC(4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 9 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYXUUMMCRJVEJDN-KMJHBWPFSA-N
InChi1S/C20H28O3/c1-12(2)15-7-10-20-11-14(13(3)18(20)23)5-6-16(20)19(15,4)9-8-17(21)22/h14-16H,1,3,5-11H2,2,4H3,(H,21,22)/t14-,15+,16-,19-,20-/m1/s1
SMILESC(CC(=O)O)[C@@]1([C@H](C(=C)C)CC[C@]23[C@@H]1CC[C@H](C2)C(=C)C3=O)C
SMART[#6]C(=C)[C@@H]1CC[C@@]23C[C@@H](CC[C@@H]2[C@]1([#6])CCC(O)=O)C(=C)C3=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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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