NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCalophynic acid
NPACT-IdNPACT01572
IUPAC-
Synonyms-
PubChem Id-
ClassUnknown
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXHHVPSNSZGKYEC-VIDWYHANSA-N
InChi1S/C34H40O6/c1-19(2)25-13-12-20(3)16-21(4)14-15-34(18-25)32(39)28(26(17-27(35)36)24-10-8-7-9-11-24)31(38)29-30(37)22(5)23(6)40-33(29)34/h7-12,14,22-23,25-26,38H,1,13,15-18H2,2-6H3,(H,35,36)/b20-12-,21-14+/t22-,23-,25?,26?,34?/m1/s1
SMILESC1=C(CC(=CCC2(CC(C1)C(=C)C)C(=O)C(=C(C1=C2O[C@@H]([C@H](C1=O)C)C)O)C(c1ccccc1)CC(=O)O)C)C
SMART[#6][C@H]1OC2=C(C(O)=C(C(CC(O)=O)C3=CC=CC=C3)C(=O)C22CC=C([#6])CC([#6])=C/CC(C2)C([#6])=C)C(=O)[C@@H]1[#6]
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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