Hydroxybostrycin

Details

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Internal ID fe1e39eb-8d7d-4bf0-aca4-4330a0c0f63d
Taxonomy Benzenoids > Anthracenes > Anthraquinones
IUPAC Name (5S,6R,7S,8R)-5,6,7,8,9,10-hexahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H16O9/c1-16(24)14(22)9-8(13(21)15(16)23)11(19)6-4(17)3-5(25-2)10(18)7(6)12(9)20/h3,13-15,19-24H,1-2H3/t13-,14+,15+,16-/m0/s1
InChI Key ORGRJEUOBWTYIP-JJXSEGSLSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O9
Molecular Weight 352.29 g/mol
Exact Mass 352.07943208 g/mol
Topological Polar Surface Area (TPSA) 165.00 Ų
XlogP -1.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Hydroxybostrycin

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 96.23% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.48% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.72% 94.45%
CHEMBL2581 P07339 Cathepsin D 90.74% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.90% 96.09%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 89.86% 92.68%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.35% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.63% 89.00%
CHEMBL1951 P21397 Monoamine oxidase A 82.42% 91.49%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.35% 99.23%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.35% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.03% 94.00%

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 139587251
LOTUS LTS0230983
wikiData Q77561098