NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-trans-sinapoyloxylup-20(29)-en-28-ol
NPACT-IdNPACT00128
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFEVUQLLYZLSRLB-SVRRIJHPSA-N
InChi1S/C39H54O6/c1-23-16-19-39(34(43)44)21-20-37(6)27(32(39)24(23)2)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-25-8-11-26(40)12-9-25/h8-13,15,23-24,28-30,32-33,40-41H,14,16-22H2,1-7H3,(H,43,44)/b15-10+/t23-,24+,28-,29+,30-,32+,33+,
SMILESc1c(c(c(cc1/C=C/C(=O)O[C@@H]1C([C@H]2[C@](CC1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H]1[C@@H](CC[C@@]1([CH]C2)O)C(=C)C)C)C)C)(C)C)OC)C)OC
SMART[#6]OC1=CC(C=CC(=O)O[C@H]2CC[C@@]3([#6])[C@@]([H])(CC[C@]4([#6])[C@]3([H])CC[C@]3([H])[C@@]5([H])[C@@H](CC[C@]5(O)C([H])C[C@@]43[#6])C(=C)[#6])[C@]2([#6])[#6])=CC(O[#6])=C1[#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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