Julichrome Q6 glucuronide

Details

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Internal ID 8e07adb1-cbe9-4a18-a60c-c2db73e6f4b1
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides
IUPAC Name (2S,3S,4S,5R,6S)-6-[[(5S,6S)-5-[(1R)-1-acetyloxyethyl]-6,9-dihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H28O12/c1-9(35-10(2)26)17-12-7-11-5-4-6-14(15(11)18(28)16(12)13(27)8-25(17,3)34)36-24-21(31)19(29)20(30)22(37-24)23(32)33/h4-7,9,17,19-22,24,28-31,34H,8H2,1-3H3,(H,32,33)/t9-,17-,19+,20+,21-,22+,24-,25+/m1/s1
InChI Key HMHKLPIPMGRQSG-SYYMLNSKSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H28O12
Molecular Weight 520.50 g/mol
Exact Mass 520.15807632 g/mol
Topological Polar Surface Area (TPSA) 200.00 Ų
XlogP 0.90

Synonyms

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Julichrome-Q6-Glucuronide
CHEMBL252954
(2S,3S,4S,5R,6S)-6-[[(5S,6S)-5-[(1R)-1-acetyloxyethyl]-6,9-dihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

2D Structure

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2D Structure of Julichrome Q6 glucuronide

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 99.62% 91.11%
CHEMBL2581 P07339 Cathepsin D 98.10% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.34% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.46% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.21% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.65% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.40% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.13% 96.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.67% 99.15%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 86.00% 96.21%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 85.71% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.52% 93.56%
CHEMBL1937 Q92769 Histone deacetylase 2 85.50% 94.75%
CHEMBL2413 P32246 C-C chemokine receptor type 1 85.46% 89.50%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.59% 90.71%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.56% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.55% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.04% 99.23%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.28% 92.62%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 82.06% 95.50%
CHEMBL5028 O14672 ADAM10 81.54% 97.50%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.18% 100.00%
CHEMBL340 P08684 Cytochrome P450 3A4 80.75% 91.19%

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 23655340
LOTUS LTS0127449
wikiData Q77505745