1,8-dihydroxynaphthol-1-O-alpha-rhamnopyranoside

Details

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Internal ID b31b40f4-6919-46d1-82f3-1cc9e110851b
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name (2S,3R,4R,5R,6S)-2-(8-hydroxynaphthalen-1-yl)oxy-6-methyloxane-3,4,5-triol
SMILES (Canonical) CC1C(C(C(C(O1)OC2=CC=CC3=C2C(=CC=C3)O)O)O)O
SMILES (Isomeric) C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C(=CC=C3)O)O)O)O
InChI InChI=1S/C16H18O6/c1-8-13(18)14(19)15(20)16(21-8)22-11-7-3-5-9-4-2-6-10(17)12(9)11/h2-8,13-20H,1H3/t8-,13-,14+,15+,16-/m0/s1
InChI Key COYQMRKCMVTQJJ-JKNOJPNLSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H18O6
Molecular Weight 306.31 g/mol
Exact Mass 306.11033829 g/mol
Topological Polar Surface Area (TPSA) 99.40 Ų
XlogP 1.20

Synonyms

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(2S,3R,4R,5R,6S)-2-(8-hydroxynaphthalen-1-yl)oxy-6-methyloxane-3,4,5-triol
RefChem:73751
CHEBI:200269

2D Structure

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2D Structure of 1,8-dihydroxynaphthol-1-O-alpha-rhamnopyranoside

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 97.01% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 96.26% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.26% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.18% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.63% 96.09%
CHEMBL2581 P07339 Cathepsin D 87.99% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.14% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 84.58% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.55% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 81.02% 94.75%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.90% 94.03%

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 139583974
LOTUS LTS0055338
wikiData Q75070039