1H-Naphtho[2,3-c]pyran-5,10-dione

Details

• Internal ID: d0cf7118-aa1f-4b2d-9bef-550a5d1a3655
• Taxonomy: Phenylpropanoids and polyketides > Isochromanequinones > Benzoisochromanequinones
• IUPAC Name: 1H-benzo[g]isochromene-5,10-dione
• InChI: InChI=1S/C13H8O3/c14-12-8-3-1-2-4-9(8)13(15)11-7-16-6-5-10(11)12/h1-6H,7H2
• InChI Key: ODADCRFMCATOSN-UHFFFAOYSA-N
• Popularity: 10 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₈O₃
• Molecular Weight: 212.20 g/mol
• Exact Mass: 212.047344113 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 1.50

Synonyms

• 1H-Naphtho[2,3-c]pyran-5,10-dione
• 106261-83-0
• SCHEMBL23762035
• DTXSID20437516

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.57%	95.56%
CHEMBL2581	P07339	Cathepsin D	91.57%	98.95%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	87.89%	82.69%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	86.16%	96.67%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.09%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	83.88%	91.49%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.49%	99.23%

Plants that contains it

• Dolichopentas longiflora
• Mitracarpus hirtus

Cross-Links

• PubChem: 10262591
• LOTUS: LTS0027977
• wikiData: Q82253028