8-Hydroxy-1-methoxy-3-methylanthraquinone

Details

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Internal ID 82090080-b9b8-4780-b9c6-9667a4813582
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 8-hydroxy-1-methoxy-3-methylanthracene-9,10-dione
SMILES (Canonical) CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=CC=C3O
SMILES (Isomeric) CC1=CC2=C(C(=C1)OC)C(=O)C3=C(C2=O)C=CC=C3O
InChI InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)16(19)13-9(15(10)18)4-3-5-11(13)17/h3-7,17H,1-2H3
InChI Key KVRUANCWPQJDMF-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O4
Molecular Weight 268.26 g/mol
Exact Mass 268.07355886 g/mol
Topological Polar Surface Area (TPSA) 63.60 Ų
XlogP 3.40

Synonyms

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67116-22-7
8-hydroxy-1-methoxy-3-methylanthracene-9,10-dione
1-O-Methylchrysophanol
CHEMBL454477
SCHEMBL8930315
DTXSID20540019
CHEBI:174530
1-methoxy-3-methyl-8-hydroxy-anthraquinone
8-HYDROXY-1-METHOXY-3-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE

2D Structure

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2D Structure of 8-Hydroxy-1-methoxy-3-methylanthraquinone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.88% 95.56%
CHEMBL2581 P07339 Cathepsin D 97.75% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 95.93% 91.49%
CHEMBL2535 P11166 Glucose transporter 92.26% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.83% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.94% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.89% 91.11%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.76% 99.15%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.94% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.61% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.54% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 86.47% 94.73%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.70% 93.03%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 84.71% 96.67%
CHEMBL4208 P20618 Proteasome component C5 83.54% 90.00%
CHEMBL1937 Q92769 Histone deacetylase 2 82.67% 94.75%
CHEMBL2056 P21728 Dopamine D1 receptor 81.89% 91.00%
CHEMBL1907 P15144 Aminopeptidase N 81.31% 93.31%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.75% 96.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.47% 100.00%

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.
Karwinskia parvifolia
Senna obtusifolia

Cross-Links

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PubChem 13412789
NPASS NPC1268
ChEMBL CHEMBL454477
LOTUS LTS0219974
wikiData Q82415878