2-Hydroxymaackiain

Details

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Internal ID 63ef5eb0-8cec-46d5-9952-fa1b21e367b8
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Furanoisoflavonoids > Pterocarpans
IUPAC Name 5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-15,16-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H12O6/c17-10-1-8-12(3-11(10)18)19-5-9-7-2-14-15(21-6-20-14)4-13(7)22-16(8)9/h1-4,9,16-18H,5-6H2
InChI Key QNMYAYDPWHAXCP-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O6
Molecular Weight 300.26 g/mol
Exact Mass 300.06338810 g/mol
Topological Polar Surface Area (TPSA) 77.40 Ų
XlogP 2.10

Synonyms

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2,3-Dihydroxy-8,9-methylenedioxypterocarpan
LMPK12070069

2D Structure

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2D Structure of 2-Hydroxymaackiain

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 98.99% 91.11%
CHEMBL2039 P27338 Monoamine oxidase B 92.53% 92.51%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.99% 93.40%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 86.01% 94.80%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.96% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.71% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.52% 95.56%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 83.18% 80.96%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 82.54% 92.62%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.52% 100.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.37% 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.
Hildegardia barteri

Cross-Links

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PubChem 14680315
LOTUS LTS0048679
wikiData Q105224558