3,4,6,8-Tetrahydroxy-3,4-dihydronaphthalen-1(2H)-one

Details

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Internal ID 86ade786-d389-40ee-885e-fc323f4412e7
Taxonomy Benzenoids > Tetralins
IUPAC Name 3,4,6,8-tetrahydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILES (Canonical) C1C(C(C2=C(C1=O)C(=CC(=C2)O)O)O)O
SMILES (Isomeric) C1C(C(C2=C(C1=O)C(=CC(=C2)O)O)O)O
InChI InChI=1S/C10H10O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-2,8,10-12,14-15H,3H2
InChI Key BHKWJBLOULPVEY-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C10H10O5
Molecular Weight 210.18 g/mol
Exact Mass 210.05282342 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP -0.20

Synonyms

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103614-68-2
DTXSID30761359

2D Structure

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2D Structure of 3,4,6,8-Tetrahydroxy-3,4-dihydronaphthalen-1(2H)-one

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.93% 91.11%
CHEMBL2581 P07339 Cathepsin D 95.36% 98.95%
CHEMBL1929 P47989 Xanthine dehydrogenase 90.15% 96.12%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.00% 93.40%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.75% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.25% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.61% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.58% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.97% 90.71%
CHEMBL217 P14416 Dopamine D2 receptor 85.69% 95.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.14% 89.00%
CHEMBL4208 P20618 Proteasome component C5 84.61% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.36% 94.45%
CHEMBL1937 Q92769 Histone deacetylase 2 81.54% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.46% 99.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.30% 97.09%

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 71333030
LOTUS LTS0193849
wikiData Q82716167