NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBenzaldehyde
NPACT-IdNPACT00314
IUPACbenzoic acid
SynonymsBenzenecarbonal; Benzoic aldehyde; Phenylmethanal; Benzenecarboxaldehyde; Benzenemethylal; Benzene carboxaldehyde; Benzoyl hydride; Benzene carbaldehyde; benzanoaldehyde; Benzene methylal; Phenylmethanone; Phenylformaldehyde; Benzoic acid aldehyde; Phenylmethanal benzenecarboxaldehyde
PubChem Id240
ClassSimple aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHUMNYLRZRPPJDN-UHFFFAOYSA-N
InChi1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
SMILESO=Cc1ccccc1
SMART[H]C(=O)C1=C([H])C([H])=C([H])C([H])=C1[H]
CAS No.100-52-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C032175
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, IS Chemical Technology, MP Biomedicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), ZINC, 
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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