6-Prop-2-enylfuro[3,2-g]chromen-7-one

Details

• Internal ID: 5569aedd-b97c-4c53-9ad2-481b88e24e68
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens
• IUPAC Name: 6-prop-2-enylfuro[3,2-g]chromen-7-one
• SMILES (Canonical): C=CCC1=CC2=C(C=C3C(=C2)C=CO3)OC1=O
• SMILES (Isomeric): C=CCC1=CC2=C(C=C3C(=C2)C=CO3)OC1=O
• InChI: InChI=1S/C14H10O3/c1-2-3-10-7-11-6-9-4-5-16-12(9)8-13(11)17-14(10)15/h2,4-8H,1,3H2
• InChI Key: IMATVXLXCKEXPA-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₀O₃
• Molecular Weight: 226.23 g/mol
• Exact Mass: 226.062994177 g/mol
• Topological Polar Surface Area (TPSA): 39.40 Ų
• XlogP: 3.40

Synonyms

There are no found synonyms.

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.69%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.25%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	89.39%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.18%	86.33%
CHEMBL4530	P00488	Coagulation factor XIII	85.03%	96.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.08%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.80%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.17%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	80.22%	91.49%

Plants that contains it

• Clausena lansium

Cross-Links

• PubChem: 163014791
• LOTUS: LTS0207461
• wikiData: Q105115567