NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta,23,28-trihydroxy-12-oleanene 23-caffeate
NPACT-IdNPACT00115
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 KeyVCAXFBASTZXBIB-WXLTURBGSA-N
InChi1S/C29H44O4/c1-17(2)8-7-9-20(26(32)33)23-16-25(31)29(6)22-12-11-21-18(10-13-24(30)27(21,3)4)19(22)14-15-28(23,29)5/h8,12,14,18,20-21,23-25,30-31H,7,9-11,13,15-16H2,1-6H3,(H,32,33)/t18-,20+,21-,23+,24-,25-,28+,29+/m0/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)COC(=O)CCc1ccc(c(c1)O)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@@]([#6])(COC(=O)CCC6=CC=C(O)C(O)=C6)[C@@H]5CC[C@@]34[#6])[C@H]2C1
CAS No.226406-74-2
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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