Sterequinone G

Details

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Internal ID 4a4ce8d8-ca09-45d5-a69d-2ad5b063571c
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 7-methoxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H18O4/c1-11(21)4-5-13-6-8-16-18(12(13)2)20(23)17-10-14(24-3)7-9-15(17)19(16)22/h6-10H,4-5H2,1-3H3
InChI Key JNPVZLURHZXTGF-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H18O4
Molecular Weight 322.40 g/mol
Exact Mass 322.12050905 g/mol
Topological Polar Surface Area (TPSA) 60.40 Ų
XlogP 3.10

Synonyms

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7-methoxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione
RefChem:185649
871577-16-1
CHEMBL465768
InChI=1/C20H18O4/c1-11(21)4-5-13-6-8-16-18(12(13)2)20(23)17-10-14(24-3)7-9-15(17)19(16)22/h6-10H,4-5H2,1-3H

2D Structure

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2D Structure of Sterequinone G

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 98.48% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.53% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.85% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.40% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 92.14% 93.31%
CHEMBL4208 P20618 Proteasome component C5 90.96% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.81% 96.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.32% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.82% 86.33%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 87.75% 96.09%
CHEMBL2535 P11166 Glucose transporter 86.83% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.62% 96.95%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.62% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 83.19% 94.73%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.83% 97.21%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.09% 94.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.66% 96.67%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 5326347
LOTUS LTS0123754
wikiData Q105132060