(3E,4S,5R)-4-hydroxy-5-methyl-3-[(11E)-tetradeca-11,13-dienylidene]oxolan-2-one

Details

• Internal ID: e1512fe1-8ee2-4194-ad66-fa9e0e62b56c
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (3E,4S,5R)-4-hydroxy-5-methyl-3-[(11E)-tetradeca-11,13-dienylidene]oxolan-2-one
• InChI: InChI=1S/C19H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(20)16(2)22-19(17)21/h3-5,15-16,18,20H,1,6-14H2,2H3/b5-4+,17-15+/t16-,18-/m1/s1
• InChI Key: TYHMSLNZHHZCSR-AUWBBPBRSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.40 g/mol
• Exact Mass: 306.21949481 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 5.70

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	91.54%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.84%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.14%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.61%	89.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.60%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	86.14%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.03%	86.33%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.06%	96.47%

Plants that contains it

• Litsea akoensis

Cross-Links

• PubChem: 100913703
• LOTUS: LTS0069951
• wikiData: Q105267329