1-Hydroxy-2,3-dimethylanthracene-9,10-dione

Details

Top
Internal ID 46bdc663-e54d-43dc-aeda-4f5343e1473d
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name 1-hydroxy-2,3-dimethylanthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H12O3/c1-8-7-12-13(14(17)9(8)2)16(19)11-6-4-3-5-10(11)15(12)18/h3-7,17H,1-2H3
InChI Key GARRKQYRNXWAAS-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C16H12O3
Molecular Weight 252.26 g/mol
Exact Mass 252.078644241 g/mol
Topological Polar Surface Area (TPSA) 54.40 Ų
XlogP 3.80

Synonyms

Top
147088-69-5
61231-62-7
9,10-Anthracenedione, 1-hydroxydimethyl-
1-HYDROXY-2,3-DIMETHYL-ANTHRAQUINONE
DTXSID00274305
1-hydroxyl-2,3-dimethylanthraquinone
AKOS024341724

2D Structure

Top
2D Structure of 1-Hydroxy-2,3-dimethylanthracene-9,10-dione

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 99.00% 91.49%
CHEMBL2581 P07339 Cathepsin D 98.69% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.82% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.65% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.19% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 88.93% 94.73%
CHEMBL2535 P11166 Glucose transporter 87.09% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.80% 99.23%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.91% 93.65%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 85.87% 96.67%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.91% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.17% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.25% 96.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.14% 82.69%

Plants that contains it

Top
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.
Gynochthodes officinalis

Cross-Links

Top
PubChem 1382
LOTUS LTS0219595
wikiData Q82003681