3,8-Dihydroxy-1-methoxyanthracene-9,10-dione

Details

Top
Internal ID 8a0d0a9e-b370-4ec6-aed0-38c315e29b53
Taxonomy Benzenoids > Anthracenes > Anthraquinones > Hydroxyanthraquinones
IUPAC Name 3,8-dihydroxy-1-methoxyanthracene-9,10-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H10O5/c1-20-11-6-7(16)5-9-13(11)15(19)12-8(14(9)18)3-2-4-10(12)17/h2-6,16-17H,1H3
InChI Key MKPXKUVNBNOJOI-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H10O5
Molecular Weight 270.24 g/mol
Exact Mass 270.05282342 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 2.70

Synonyms

Top
3,8-Dihydroxy-1-methoxyanthracene-9,10-dione
1-methoxy-3,8-bis(oxidanyl)anthracene-9,10-dione
89367-83-9
QPF
DTXSID60753343
CHEBI:219512
3,8-dihydroxy-1-methoxy-9,10-anthraquinone

2D Structure

Top
2D Structure of 3,8-Dihydroxy-1-methoxyanthracene-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
CHEMBL2581 P07339 Cathepsin D 97.77% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.01% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 94.87% 91.49%
CHEMBL2535 P11166 Glucose transporter 93.37% 98.75%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.97% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.45% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.10% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.93% 99.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.67% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.29% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.52% 94.00%
CHEMBL4208 P20618 Proteasome component C5 88.13% 90.00%
CHEMBL1255126 O15151 Protein Mdm4 83.51% 90.20%
CHEMBL1937 Q92769 Histone deacetylase 2 82.83% 94.75%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.80% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 82.18% 94.73%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.61% 96.67%
CHEMBL1907 P15144 Aminopeptidase N 81.13% 93.31%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.01% 99.17%

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.
There are no matching plants.

Cross-Links

Top
PubChem 71323793
LOTUS LTS0210816
wikiData Q82704192