2-(4-Hydroxyphenyl)chromenylium-5,7-diol

Details

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Internal ID f5bc094c-a247-403d-a06e-20d36aa5d792
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids
IUPAC Name 2-(4-hydroxyphenyl)chromenylium-5,7-diol
SMILES (Canonical) C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O
SMILES (Isomeric) C1=CC(=CC=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O
InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8H,(H2-,16,17,18)/p+1
InChI Key ZKMZBAABQFUXFE-UHFFFAOYSA-O
Popularity 13 references in papers

Physical and Chemical Properties

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Molecular Formula C15H11O4+
Molecular Weight 255.24 g/mol
Exact Mass 255.06573383 g/mol
Topological Polar Surface Area (TPSA) 61.70 Ų
XlogP 0.00

Synonyms

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2-(4-hydroxyphenyl)chromenylium-5,7-diol
CHEBI:2772
AC1L9BF4
APIGENINIDINCHLORIDE
C08574
SCHEMBL5692415
CHEMBL1197890
CPD-7096

2D Structure

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2D Structure of 2-(4-Hydroxyphenyl)chromenylium-5,7-diol

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
CHEMBL242 Q92731 Estrogen receptor beta 98.67% 98.35%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.20% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 93.45% 91.49%
CHEMBL1929 P47989 Xanthine dehydrogenase 93.39% 96.12%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.93% 99.15%
CHEMBL240 Q12809 HERG 89.52% 89.76%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 87.34% 97.23%
CHEMBL3194 P02766 Transthyretin 87.01% 90.71%
CHEMBL2581 P07339 Cathepsin D 85.90% 98.95%
CHEMBL3438 Q05513 Protein kinase C zeta 83.31% 88.48%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.76% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.20% 95.56%

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.
Ephedra breana
Glycine max
Hibiscus rosa-sinensis
Sinningia cardinalis

Cross-Links

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PubChem 441647
LOTUS LTS0223333
wikiData Q99746004