NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3-hydroxy-2,4-dimethoxybenzaldehyde
NPACT-IdNPACT01079
IUPAC-
Synonyms2,4-Dimethoxy-3-hydroxybenzaldehyde;Benzaldehyde, 3-hydroxy-2,4-dimethoxy-
PubChem Id122570
ClassSimple aromatic natural products
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCOBXDAOIDYGHGK-UHFFFAOYSA-N
InChi1S/C9H10O4/c1-12-7-4-3-6(5-10)9(13-2)8(7)11/h3-5,11H,1-2H3
SMILESO(c1c(ccc(OC)c1O)C=O)C
SMART[H]OC1=C(OC([H])([H])[H])C([H])=C([H])C(C([H])=O)=C1OC([H])([H])[H]
CAS No.32246-34-7
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, ChemFrog, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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