8-Hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde

Details

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Internal ID 67cd8b39-c8c7-4e67-a110-08dde4d04118
Taxonomy Benzenoids > Anthracenes
IUPAC Name 8-hydroxy-9,10-dimethoxyanthracene-2-carbaldehyde
SMILES (Canonical) COC1=C2C=CC(=CC2=C(C3=C1C=CC=C3O)OC)C=O
SMILES (Isomeric) COC1=C2C=CC(=CC2=C(C3=C1C=CC=C3O)OC)C=O
InChI InChI=1S/C17H14O4/c1-20-16-11-7-6-10(9-18)8-13(11)17(21-2)15-12(16)4-3-5-14(15)19/h3-9,19H,1-2H3
InChI Key VLJUCDZJBABGOC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O4
Molecular Weight 282.29 g/mol
Exact Mass 282.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-Hydroxy-9,10-dimethoxyanthracene-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
CHEMBL1951 P21397 Monoamine oxidase A 98.45% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.17% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.80% 91.11%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 93.56% 98.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.88% 86.33%
CHEMBL2535 P11166 Glucose transporter 87.98% 98.75%
CHEMBL2581 P07339 Cathepsin D 87.89% 98.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.10% 99.15%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.72% 95.50%
CHEMBL3959 P16083 Quinone reductase 2 84.86% 89.49%
CHEMBL3401 O75469 Pregnane X receptor 84.31% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.96% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.66% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.42% 96.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.24% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.82% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 81.78% 94.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.64% 89.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.54% 80.78%

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.
Cichorium intybus
Cichorium pumilum
Hieracium gymnocephalum
Morinda lucida
Saussurea petrovii
Saussurea ussuriensis
Tolpis webbii

Cross-Links

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PubChem 163029200
LOTUS LTS0071440
wikiData Q104888770