Kalkipyrone B

Details

• Internal ID: 368b8b00-250e-4d92-acb5-7907121c4a3e
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
• IUPAC Name: 2-[(2E,7E,9R)-9-hydroxy-3,7-dimethyldeca-2,7-dienyl]-6-methoxy-3,5-dimethylpyran-4-one
• InChI: InChI=1S/C20H30O4/c1-13(8-7-9-14(2)12-15(3)21)10-11-18-16(4)19(22)17(5)20(23-6)24-18/h10,12,15,21H,7-9,11H2,1-6H3/b13-10+,14-12+/t15-/m1/s1
• InChI Key: POWDQNOFNJBGFS-FEFCGZSXSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.40 g/mol
• Exact Mass: 334.21440943 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 4.50

Synonyms

• DTXSID601047586

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
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	96.57%	85.14%
CHEMBL2581	P07339	Cathepsin D	93.72%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.33%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	91.40%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.69%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	89.37%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	87.08%	94.73%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.50%	96.09%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.95%	97.21%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.52%	99.23%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	82.34%	91.07%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.25%	90.71%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 132578764
• LOTUS: LTS0057019
• wikiData: Q104246466