NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundCinnamaldehyde
NPACT-IdNPACT00422
IUPAC(E)-3-phenylprop-2-enoic acid
Synonyms3-Phenylacrylaldehyde; Cinnamal; Phenylacrolein; Zimtaldehyde; Cassia aldehyde; 3-Phenylpropenal; Benzylideneacetaldehyde; Cinnamyl aldehyde; beta-phenylacrolein; Aldehyd skoricovy
PubChem Id637511
ClassOrganic chemical
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsBAX | BCL2L1 | FAS | PARP1 | TP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKJPRLNWUNMBNBZ-QPJJXVBHSA-N
InChi1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
SMILESO=C/C=C/c1ccccc1
SMART[H]C(=O)C([H])=C(/[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.104-55-2
Structure
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Cross Refrence in other databases
Super Natural   000104552
CTD   C012843
HIT   C0369
NCI-60 GI50 data   -
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Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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