2-Hydroxy-6-(7-hydroxy-4-oxochromen-3-yl)benzaldehyde

Details

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Internal ID 695c39bf-800d-4c75-a634-562cfe115611
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
IUPAC Name 2-hydroxy-6-(7-hydroxy-4-oxochromen-3-yl)benzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H10O5/c17-7-12-10(2-1-3-14(12)19)13-8-21-15-6-9(18)4-5-11(15)16(13)20/h1-8,18-19H
InChI Key RHAHSJPCMYFQTA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H10O5
Molecular Weight 282.25 g/mol
Exact Mass 282.05282342 g/mol
Topological Polar Surface Area (TPSA) 83.80 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Hydroxy-6-(7-hydroxy-4-oxochromen-3-yl)benzaldehyde

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 98.34% 95.56%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 98.25% 98.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.40% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 96.73% 91.49%
CHEMBL2581 P07339 Cathepsin D 96.40% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.20% 89.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 89.45% 93.40%
CHEMBL3194 P02766 Transthyretin 89.11% 90.71%
CHEMBL1937 Q92769 Histone deacetylase 2 88.50% 94.75%
CHEMBL3401 O75469 Pregnane X receptor 88.46% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.26% 99.23%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 87.32% 80.78%
CHEMBL2535 P11166 Glucose transporter 87.13% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 85.83% 99.15%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.06% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 80.75% 91.71%

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.
Cullen corylifolium

Cross-Links

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PubChem 5316098
LOTUS LTS0184125
wikiData Q105236217