6-Hydroxy-4,5-dimethoxynaphthalene-2-carbaldehyde

Details

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Internal ID dd44b86d-0c40-4e9d-840f-dbd5bc389e18
Taxonomy Benzenoids > Naphthalenes > Naphthols and derivatives
IUPAC Name 6-hydroxy-4,5-dimethoxynaphthalene-2-carbaldehyde
SMILES (Canonical) COC1=C2C(=CC(=C1)C=O)C=CC(=C2OC)O
SMILES (Isomeric) COC1=C2C(=CC(=C1)C=O)C=CC(=C2OC)O
InChI InChI=1S/C13H12O4/c1-16-11-6-8(7-14)5-9-3-4-10(15)13(17-2)12(9)11/h3-7,15H,1-2H3
InChI Key KOCSGSHVBGSKOI-UHFFFAOYSA-N
Popularity 0 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 6-Hydroxy-4,5-dimethoxynaphthalene-2-carbaldehyde

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
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 97.03% 98.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.06% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.81% 95.56%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 93.48% 80.78%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.58% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.63% 96.09%
CHEMBL4208 P20618 Proteasome component C5 88.11% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.25% 96.00%
CHEMBL3194 P02766 Transthyretin 86.89% 90.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.31% 99.15%
CHEMBL2535 P11166 Glucose transporter 85.33% 98.75%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.22% 89.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.19% 99.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.93% 94.45%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.11% 94.00%
CHEMBL1255126 O15151 Protein Mdm4 82.72% 90.20%

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 ebenum
Diospyros paniculata

Cross-Links

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PubChem 162968220
LOTUS LTS0216470
wikiData Q105143755