4-(5-Prop-1-enyl-1-benzofuran-2-yl)phenol

Details

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Internal ID bddfb6c1-d2fd-4f22-9eb1-38644a19b109
Taxonomy Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids
IUPAC Name 4-(5-prop-1-enyl-1-benzofuran-2-yl)phenol
SMILES (Canonical) CC=CC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)O
SMILES (Isomeric) CC=CC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)O
InChI InChI=1S/C17H14O2/c1-2-3-12-4-9-16-14(10-12)11-17(19-16)13-5-7-15(18)8-6-13/h2-11,18H,1H3
InChI Key OAMUEWCGJSSPRS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O2
Molecular Weight 250.29 g/mol
Exact Mass 250.099379685 g/mol
Topological Polar Surface Area (TPSA) 33.40 Ų
XlogP 4.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-(5-Prop-1-enyl-1-benzofuran-2-yl)phenol

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 98.20% 98.35%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.98% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.94% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 91.20% 91.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.78% 89.00%
CHEMBL2581 P07339 Cathepsin D 89.53% 98.95%
CHEMBL2487 P05067 Beta amyloid A4 protein 88.87% 96.74%
CHEMBL3194 P02766 Transthyretin 86.63% 90.71%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.57% 85.14%
CHEMBL3401 O75469 Pregnane X receptor 86.53% 94.73%
CHEMBL3038469 P24941 CDK2/Cyclin A 84.04% 91.38%
CHEMBL301 P24941 Cyclin-dependent kinase 2 83.99% 91.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.53% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 83.25% 96.00%
CHEMBL3959 P16083 Quinone reductase 2 83.11% 89.49%
CHEMBL2208 P49137 MAP kinase-activated protein kinase 2 82.24% 95.20%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.58% 90.71%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.52% 95.78%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 81.42% 93.10%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 80.57% 83.57%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.25% 93.65%

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.
Krameria erecta
Krameria lappacea

Cross-Links

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PubChem 76044967
LOTUS LTS0217399
wikiData Q105188742