Fomannoxin

Details

• Internal ID: edeaad76-4685-4e3d-8b32-5cba36936f60
• Taxonomy: Organoheterocyclic compounds > Coumarans
• IUPAC Name: (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carbaldehyde
• InChI: InChI=1S/C12H12O2/c1-8(2)12-6-10-5-9(7-13)3-4-11(10)14-12/h3-5,7,12H,1,6H2,2H3/t12-/m0/s1
• InChI Key: MPEXJCQZHBHGMC-LBPRGKRZSA-N
• Popularity: 15 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂O₂
• Molecular Weight: 188.22 g/mol
• Exact Mass: 188.083729621 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 2.70

Synonyms

• Fomannoxin
• 2,3-Dihydro-2-(1-methylethenyl)-5-benzofurancarboxaldehyde
• CHEMBL4099389
• DTXSID60979804
• Z1511751448
• 2-(Prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-carbaldehyde
• 5-Benzofurancarboxaldehyde, 2,3-dihydro-2-(1-methylethenyl)-

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1951	P21397	Monoamine oxidase A	98.99%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.61%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.54%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.66%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.15%	94.45%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.96%	100.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.46%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	86.41%	94.73%
CHEMBL4481	P35228	Nitric oxide synthase, inducible	85.19%	94.80%
CHEMBL2581	P07339	Cathepsin D	84.60%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.10%	89.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	80.15%	95.89%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 163013
• LOTUS: LTS0077345
• wikiData: Q82965527