4-Hydroxy-5,6-dimethoxy-2-naphthaldehyde

Details

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Internal ID f2a3cb3f-f641-4649-8073-11f0c990284c
Taxonomy Benzenoids > Naphthalenes > Naphthols and derivatives
IUPAC Name 4-hydroxy-5,6-dimethoxynaphthalene-2-carbaldehyde
SMILES (Canonical) COC1=C(C2=C(C=C(C=C2C=C1)C=O)O)OC
SMILES (Isomeric) COC1=C(C2=C(C=C(C=C2C=C1)C=O)O)OC
InChI InChI=1S/C13H12O4/c1-16-11-4-3-9-5-8(7-14)6-10(15)12(9)13(11)17-2/h3-7,15H,1-2H3
InChI Key FMHSKKFFZHLCQV-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C13H12O4
Molecular Weight 232.23 g/mol
Exact Mass 232.07355886 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-Hydroxy-5,6-dimethoxy-2-naphthaldehyde

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL1951 P21397 Monoamine oxidase A 97.46% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.44% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 94.47% 98.11%
CHEMBL1255126 O15151 Protein Mdm4 90.90% 90.20%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.67% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.38% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.55% 96.09%
CHEMBL3194 P02766 Transthyretin 88.60% 90.71%
CHEMBL4208 P20618 Proteasome component C5 87.93% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.79% 96.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 87.19% 80.78%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.63% 94.45%
CHEMBL2535 P11166 Glucose transporter 84.57% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.96% 99.17%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.65% 89.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.70% 94.00%

Plants that contains it

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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.
Diospyros virginiana

Cross-Links

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PubChem 102049519
LOTUS LTS0234694
wikiData Q104997847