7-methoxy-1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione

Details

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Internal ID 91ed8ffd-f605-48f9-81ec-e4c335c65284
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 7-methoxy-1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H16O3/c1-10-4-6-13-11(2)18-17(9-15(10)13)19(21)14-7-5-12(23-3)8-16(14)20(18)22/h4-5,7-9H,6H2,1-3H3
InChI Key OUZOLRKHSBVVKN-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C20H16O3
Molecular Weight 304.30 g/mol
Exact Mass 304.109944368 g/mol
Topological Polar Surface Area (TPSA) 43.40 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-methoxy-1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione

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
CHEMBL2581 P07339 Cathepsin D 97.46% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.33% 95.56%
CHEMBL1907 P15144 Aminopeptidase N 95.05% 93.31%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.98% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 91.31% 91.49%
CHEMBL4208 P20618 Proteasome component C5 90.67% 90.00%
CHEMBL2535 P11166 Glucose transporter 89.71% 98.75%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 87.47% 96.67%
CHEMBL240 Q12809 HERG 86.44% 89.76%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.27% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.55% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.38% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.65% 99.15%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.60% 93.40%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.47% 96.77%
CHEMBL1929 P47989 Xanthine dehydrogenase 83.30% 96.12%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.07% 96.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.04% 93.65%
CHEMBL2056 P21728 Dopamine D1 receptor 81.71% 91.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.34% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 81.26% 96.09%
CHEMBL1871 P10275 Androgen Receptor 80.65% 96.43%
CHEMBL4581 P52732 Kinesin-like protein 1 80.57% 93.18%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.16% 89.00%

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.
There are no matching plants.

Cross-Links

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PubChem 11066660
LOTUS LTS0072757
wikiData Q105200556