NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta,23,28-trihydroxy-12-oleanene 3-beta-caffeate
NPACT-IdNPACT00116
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 9 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQQTDTCQXYIFZKZ-NVCBHGOCSA-N
InChi1S/C39H60O6/c1-34(2)17-19-39(23-40)20-18-37(5)26(27(39)22-34)9-11-31-35(3)15-14-32(43)36(4,30(35)13-16-38(31,37)6)24-45-33(44)12-8-25-7-10-28(41)29(42)21-25/h7,10,21,26-27,30-32,40-43H,8-9,11-20,22-24H2,1-6H3/t26-,27-,30-,31-,32+,35+,36+,37-,38-,39-/m1/s1
SMILESC1C[C@@H]([C@@]([C@H]2[C@]1([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1CC(CC[C@@]1(CC2)CO)(C)C)C)C)C)(C)CO)O[C@@H](O)CCc1cc(c(cc1)O)O
SMART[#6][C@]1([#6])CC[C@]2(CO)CC[C@]3([#6])[C@H](CC[C@@H]4[C@@]5([#6])CC[C@H](O[C@@H](O)CCC6=CC=C(O)C(O)=C6)[C@@]([#6])(CO)[C@@H]5CC[C@@]34[#6])[C@H]2C1
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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