Fusarester B

Details

• Internal ID: e6882716-2a8a-4e68-8a1d-2a6719b27281
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
• IUPAC Name: 6-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-2-methoxy-3-methylpyran-4-one
• SMILES (Canonical): CCC(C)CC(C)C=C(C)C1=CC(=O)C(=C(O1)OC)C
• SMILES (Isomeric): CC[C@H](C)C[C@H](C)/C=C(\C)/C1=CC(=O)C(=C(O1)OC)C
• InChI: InChI=1S/C17H26O3/c1-7-11(2)8-12(3)9-13(4)16-10-15(18)14(5)17(19-6)20-16/h9-12H,7-8H2,1-6H3/b13-9+/t11-,12-/m0/s1
• InChI Key: HVUSRHCOYOKILZ-VSIAZPJASA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₆O₃
• Molecular Weight: 278.40 g/mol
• Exact Mass: 278.18819469 g/mol
• Topological Polar Surface Area (TPSA): 35.50 Ų
• XlogP: 5.00

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
CHEMBL2581	P07339	Cathepsin D	97.41%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.19%	91.11%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	91.85%	97.21%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.96%	99.17%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	89.94%	96.95%
CHEMBL3401	O75469	Pregnane X receptor	88.30%	94.73%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	85.54%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.30%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.01%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.79%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.97%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.70%	96.09%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.73%	90.71%

Plants that contains it

• Rhinacanthus nasutus

Cross-Links

• PubChem: 146682272
• LOTUS: LTS0160585
• wikiData: Q104997170