2,3-Dihydroxy-4-methoxybenzaldehyde

Details

Top
Internal ID fa76cc51-1c43-469d-884e-c00bb39b4328
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 2,3-dihydroxy-4-methoxybenzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C8H8O4/c1-12-6-3-2-5(4-9)7(10)8(6)11/h2-4,10-11H,1H3
InChI Key OJZYLUUHIAKDJT-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

Top
Molecular Formula C8H8O4
Molecular Weight 168.15 g/mol
Exact Mass 168.04225873 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 1.00

Synonyms

Top
4055-69-0
2,3-dihydroxy-4-methoxy-benzaldehyde
DHMB
Isovanillinalkohol
2,3-dihydroxy4-methoxy-benzaldehyde
Benzaldehyde, 2,3-dihydroxy-4-methoxy-
SCHEMBL1527154
DTXSID30468513
OJZYLUUHIAKDJT-UHFFFAOYSA-N
2,3-Dihydroxy-4methoxy-benzaldehyde
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 2,3-Dihydroxy-4-methoxybenzaldehyde

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 97.80% 98.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.20% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.06% 96.09%
CHEMBL1951 P21397 Monoamine oxidase A 91.35% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.95% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.63% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.97% 96.00%
CHEMBL2581 P07339 Cathepsin D 85.09% 98.95%
CHEMBL3194 P02766 Transthyretin 84.98% 90.71%
CHEMBL4208 P20618 Proteasome component C5 83.88% 90.00%
CHEMBL1255126 O15151 Protein Mdm4 83.62% 90.20%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.24% 94.45%
CHEMBL3401 O75469 Pregnane X receptor 80.02% 94.73%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Chamaecrista flexuosa

Cross-Links

Top
PubChem 11557352
LOTUS LTS0226241
wikiData Q82295741