4,6,8-Trihydroxy-3,4-dihydronaphthalen-1(2h)-one

Details

Top
Internal ID f6238997-a10f-4924-9566-6baa432bbda4
Taxonomy Benzenoids > Tetralins
IUPAC Name 4,6,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H10O4/c11-5-3-6-7(12)1-2-8(13)10(6)9(14)4-5/h3-4,7,11-12,14H,1-2H2
InChI Key YIIXGDYMMKWBPB-UHFFFAOYSA-N
Popularity 9 references in papers

Physical and Chemical Properties

Top
Molecular Formula C10H10O4
Molecular Weight 194.18 g/mol
Exact Mass 194.05790880 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 0.80

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 4,6,8-Trihydroxy-3,4-dihydronaphthalen-1(2h)-one

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.64% 91.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 94.95% 93.40%
CHEMBL2581 P07339 Cathepsin D 93.49% 98.95%
CHEMBL1929 P47989 Xanthine dehydrogenase 92.27% 96.12%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.74% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.75% 90.71%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.90% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.45% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.20% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.34% 92.94%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.85% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.48% 95.89%
CHEMBL217 P14416 Dopamine D2 receptor 81.02% 95.62%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.68% 100.00%
CHEMBL4208 P20618 Proteasome component C5 80.60% 90.00%
CHEMBL4530 P00488 Coagulation factor XIII 80.47% 96.00%

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 75052576
LOTUS LTS0078920
wikiData Q105348863