5-Methylflavasperone

Details

• Internal ID: c9188534-a1b5-4cfe-b3b7-cdafd08a79fb
• Taxonomy: Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
• IUPAC Name: 5,8,10-trimethoxy-2-methylbenzo[h]chromen-4-one
• SMILES (Canonical): CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2OC)OC)OC
• SMILES (Isomeric): CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2OC)OC)OC
• InChI: InChI=1S/C17H16O5/c1-9-5-12(18)16-13(20-3)7-10-6-11(19-2)8-14(21-4)15(10)17(16)22-9/h5-8H,1-4H3
• InChI Key: XIPRKZKXZRMYTO-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₆O₅
• Molecular Weight: 300.30 g/mol
• Exact Mass: 300.09977361 g/mol
• Topological Polar Surface Area (TPSA): 54.00 Ų
• XlogP: 3.10

Synonyms

• CHEMBL505266
• 5,8,10-trimethoxy-2-methylbenzo[h]chromen-4-one

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
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.43%	94.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.34%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.95%	93.99%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.20%	91.11%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	87.91%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	87.86%	94.73%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	86.22%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.13%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.04%	99.17%
CHEMBL4208	P20618	Proteasome component C5	80.61%	90.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	80.32%	94.42%
CHEMBL2581	P07339	Cathepsin D	80.30%	98.95%

Plants that contains it

• Guiera senegalensis

Cross-Links

• PubChem: 10780552
• LOTUS: LTS0124564
• wikiData: Q105328662