7-Hydroxy-2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione

Details

• Internal ID: 65fba418-85ce-4b21-ab84-7a402b246fe6
• Taxonomy: Organoheterocyclic compounds > Naphthofurans
• IUPAC Name: 7-hydroxy-2-prop-1-en-2-ylbenzo[f][1]benzofuran-4,9-dione
• SMILES (Canonical): CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
• SMILES (Isomeric): CC(=C)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)O
• InChI: InChI=1S/C15H10O4/c1-7(2)12-6-11-13(17)9-4-3-8(16)5-10(9)14(18)15(11)19-12/h3-6,16H,1H2,2H3
• InChI Key: MCSOYFIBXPHLPS-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₀O₄
• Molecular Weight: 254.24 g/mol
• Exact Mass: 254.05790880 g/mol
• Topological Polar Surface Area (TPSA): 67.50 Ų
• XlogP: 3.30

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
CHEMBL1951	P21397	Monoamine oxidase A	98.56%	91.49%
CHEMBL2581	P07339	Cathepsin D	98.38%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.76%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.74%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	90.04%	94.73%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.03%	89.00%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	84.98%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.03%	86.33%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.79%	90.71%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	81.58%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.48%	99.17%

Plants that contains it

• Newbouldia laevis

Cross-Links

• PubChem: 10879634
• LOTUS: LTS0143408
• wikiData: Q105161412