2,4,8-Trihydroxy-1-tetralone, cis-(-)-

Details

Top
Internal ID 33eeb214-25d5-4dd3-b81d-556cb2c63c69
Taxonomy Benzenoids > Tetralins
IUPAC Name (2R,4S)-2,4,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H10O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-3,7-8,11-13H,4H2/t7-,8+/m0/s1
InChI Key FHAMKLIXDLEUPK-JGVFFNPUSA-N
Popularity 2 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 0.60

Synonyms

Top
110901-28-5
88899-02-9
2CC63HKO4S
692524QKUW
2,4,8-Trihydroxy-1-tetralone, cis-
(2R,4S)-2,4,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
1(2H)-Naphthalenone, 3,4-dihydro-2,4,8-trihydroxy-, (2R,4S)-
1(2H)-Naphthalenone, 3,4-dihydro-2,4,8-trihydroxy-, (2R-cis)-
2,4,8-Trihydroxy-1-tetralone, cis-(+/-)-
1(2H)-Naphthalenone, 3,4-dihydro-2,4,8-trihydroxy-, cis-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 2,4,8-Trihydroxy-1-tetralone, cis-(-)-

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 94.42% 91.49%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.54% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.92% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.58% 97.09%
CHEMBL2581 P07339 Cathepsin D 88.58% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.30% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.71% 94.45%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.94% 93.03%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.87% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.12% 96.09%

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 130654
LOTUS LTS0123466
wikiData Q83015176