3-[(2,4-Dimethoxyphenyl)methylidene]-7-hydroxychromen-4-one

Details

Top
Internal ID 3e802675-ac16-4e7f-9cc4-38f41a0625eb
Taxonomy Phenylpropanoids and polyketides > Homoisoflavonoids
IUPAC Name 3-[(2,4-dimethoxyphenyl)methylidene]-7-hydroxychromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H16O5/c1-21-14-5-3-11(16(9-14)22-2)7-12-10-23-17-8-13(19)4-6-15(17)18(12)20/h3-9,19H,10H2,1-2H3
InChI Key IWVNCSBPRZYLMJ-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H16O5
Molecular Weight 312.30 g/mol
Exact Mass 312.09977361 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 2.90

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 3-[(2,4-Dimethoxyphenyl)methylidene]-7-hydroxychromen-4-one

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 98.64% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.88% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.08% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.10% 96.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 92.33% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.04% 89.00%
CHEMBL4208 P20618 Proteasome component C5 91.56% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.45% 86.33%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 87.46% 82.67%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.42% 95.89%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.37% 94.00%
CHEMBL2535 P11166 Glucose transporter 85.97% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.66% 99.17%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.46% 93.40%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.14% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.64% 99.23%
CHEMBL3194 P02766 Transthyretin 83.35% 90.71%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 82.75% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.38% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.30% 96.00%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 80.90% 95.53%
CHEMBL340 P08684 Cytochrome P450 3A4 80.07% 91.19%

Plants that contains it

Top
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.
Caesalpinia pulcherrima

Cross-Links

Top
PubChem 90907693
LOTUS LTS0090093
wikiData Q105121903