(3Z,4S,5R)-4-hydroxy-5-methyl-3-[(E)-tetradec-11-enylidene]oxolan-2-one

Details

• Internal ID: 6b2446b8-cad7-4521-be71-c2198d4d3b54
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (3Z,4S,5R)-4-hydroxy-5-methyl-3-[(E)-tetradec-11-enylidene]oxolan-2-one
• InChI: InChI=1S/C19H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h4-5,15-16,18,20H,3,6-14H2,1-2H3/b5-4+,17-15-/t16-,18-/m1/s1
• InChI Key: JMRZWEJGSYZVKI-BCGQDAMJSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₂O₃
• Molecular Weight: 308.50 g/mol
• Exact Mass: 308.23514488 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 5.80

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	93.38%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.28%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.74%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.96%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	84.96%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.08%	86.33%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.69%	96.47%
CHEMBL3401	O75469	Pregnane X receptor	80.92%	94.73%

Plants that contains it

• Litsea japonica

Cross-Links

• PubChem: 14524505
• LOTUS: LTS0027868
• wikiData: Q105131622