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Exserolide K

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 039ad1ae-1cdd-4d34-abae-756497181d18
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives
IUPAC Name (2R,3aR,9bS)-6,8-dihydroxy-7-methoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H18O6/c1-3-4-7-5-10-13(20-7)8-6-9(16)14(19-2)12(17)11(8)15(18)21-10/h6-7,10,13,16-17H,3-5H2,1-2H3/t7-,10-,13+/m1/s1
InChI Key ZXWQOPCWRZRWHP-OHILOLKFSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H18O6
Molecular Weight 294.30 g/mol
Exact Mass 294.11033829 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.60

Synonyms

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(2R,3aR,9bS)-6,8-dihydroxy-7-methoxy-2-propyl-2,3,3a,9b-tetrahydrofuro(3,2-c)isochromen-5-one
(2R,3aR,9bS)-6,8-dihydroxy-7-methoxy-2-propyl-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-5-one
RefChem:139800
CHEMBL4218475
CHEBI:210063
(2R,3aR,9bS)-6,8-dihydroxy-7-methoxy-2-propyl-2,3,3a,9b-tetrahydrouro[3,2-c]isochromen-5-one

2D Structure

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2D Structure of Exserolide K

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 99.24% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.03% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 93.82% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.05% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.76% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.20% 97.09%
CHEMBL2581 P07339 Cathepsin D 89.56% 98.95%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.57% 92.62%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 87.52% 96.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.24% 99.17%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.60% 94.00%
CHEMBL3401 O75469 Pregnane X receptor 85.09% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.75% 95.56%
CHEMBL4208 P20618 Proteasome component C5 82.91% 90.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.18% 99.23%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.11% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.52% 89.00%

Plants that contains it

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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

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PubChem 139590083
LOTUS LTS0096785
wikiData Q105385844