NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundcanophyllic acid
NPACT-IdNPACT00462
IUPAC10-hydroxy-2,2,6a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-4a-carboxylic acid
SynonymsD:A-Friedooleanan-28-oic acid, 3.beta.-hydroxy-10-hydroxy-2,2,6a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-4a-carboxylic acid
PubChem Id596679
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySWXBCXVNBGHVGG-UHFFFAOYSA-N
InChi1S/C30H50O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19-23,31H,8-18H2,1-7H3,(H,32,33)
SMILESOC1C(C2(C(C3(C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(=O)O)(CC3)C)C)CC2)C)CC1)C)C
SMART[#6]C1C(O)CCC2C1([#6])CCC1C2([#6])CCC2([#6])C3CC([#6])([#6])CCC3(CCC12[#6])C(O)=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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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