NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-cinnamoyl-3-acetyl-11-methoxymeliacarpinin
NPACT-IdNPACT00054
IUPACMethyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22R,23R,25S,26S)-23-acetoxy-7,14-dihydroxy-4-methoxy-6,16,22-trimethyl-25-{[(2E)-3-phenyl-2-propenoyl]oxy}-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,1 5.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4-carboxylate
SynonymsMeliacarpinin A
PubChem Id10327653
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDXADLTAZYMMMNI-AWMFJOPCSA-N
InChi1S/C39H46O14/c1-20(40)50-23-17-24(51-26(41)13-12-21-10-8-7-9-11-21)36-19-49-38(46-6,31(42)45-5)30(36)34(3)29(27-28(36)33(23,2)18-48-27)53-35(4)22-16-25(39(34,35)44)52-32-37(22,43)14-15-47-32/h7-15,22-25,27-30,32,43-44H,16-19H2,1-6H3/b13-12+/t22-,23-,24+,2
SMILESO1[C@H]2[C@]([C@H]3[C@@]4([C@H]5[C@H]2OC[C@@]5([C@H](OC(=O)C)C[C@@H]4OC(=O)/C=C/c2ccccc2)C)CO[C@]3(OC)C(=O)OC)([C@]2(O)[C@]1([C@H]1C[C@@H]2O[C@@H]2OC=C[C@]12O)C)C
SMART[#6]OC(=O)[C@@]1(O[#6])OC[C@@]23[C@H]4[C@@H](OC[C@]4([#6])[C@@H](C[C@@H]2OC(=O)C=CC2=CC=CC=C2)OC([#6])=O)[C@H]2O[C@]4([#6])[C@H]5C[C@H](O[C@@H]6OC=C[C@]56O)[C@]4(O)[C@@]2([#6])[C@H]13
CAS No.155173-62-9
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   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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