Curvulapyrone

Details

• Internal ID: f19f4387-f26f-4f63-a37a-db686a68cc2d
• Taxonomy: Organoheterocyclic compounds > Pyrans > Pyranones and derivatives
• IUPAC Name: 4-hydroxy-6-[(E)-prop-1-enyl]-3-(1,2,3-trihydroxybutyl)pyran-2-one
• SMILES (Canonical): CC=CC1=CC(=C(C(=O)O1)C(C(C(C)O)O)O)O
• SMILES (Isomeric): C/C=C/C1=CC(=C(C(=O)O1)C(C(C(C)O)O)O)O
• InChI: InChI=1S/C12H16O6/c1-3-4-7-5-8(14)9(12(17)18-7)11(16)10(15)6(2)13/h3-6,10-11,13-16H,1-2H3/b4-3+
• InChI Key: MQOYRGFPFLMMGH-ONEGZZNKSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₆O₆
• Molecular Weight: 256.25 g/mol
• Exact Mass: 256.09468823 g/mol
• Topological Polar Surface Area (TPSA): 107.00 Ų
• XlogP: 0.00

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	96.65%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.10%	98.95%
CHEMBL1806	P11388	DNA topoisomerase II alpha	91.35%	89.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.28%	95.56%
CHEMBL3401	O75469	Pregnane X receptor	90.81%	94.73%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	90.58%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.73%	86.33%
CHEMBL4208	P20618	Proteasome component C5	82.78%	90.00%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.45%	90.24%
CHEMBL1937	Q92769	Histone deacetylase 2	81.20%	94.75%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	81.18%	83.10%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.98%	93.99%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139584916
• LOTUS: LTS0079719
• wikiData: Q77378019