Rhizobialide

Details

• Internal ID: 3a832b80-d6f4-4f98-b75c-0930c130a968
• Taxonomy: Organoheterocyclic compounds > Lactones > Gamma butyrolactones
• IUPAC Name: (5S)-5-(8-oxotetradecyl)oxolan-2-one
• InChI: InChI=1S/C18H32O3/c1-2-3-4-8-11-16(19)12-9-6-5-7-10-13-17-14-15-18(20)21-17/h17H,2-15H2,1H3/t17-/m0/s1
• InChI Key: GXAQLKLMIQWKNL-KRWDZBQOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₃₂O₃
• Molecular Weight: 296.40 g/mol
• Exact Mass: 296.23514488 g/mol
• Topological Polar Surface Area (TPSA): 43.40 Ų
• XlogP: 4.60

Synonyms

• (5S)-5-(8-oxotetradecyl)oxolan-2-one
• RefChem:179183
• SCHEMBL14945357
• CHEBI:200675

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
CHEMBL3060	Q9Y345	Glycine transporter 2	94.21%	99.17%
CHEMBL2581	P07339	Cathepsin D	94.15%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.25%	91.11%
CHEMBL230	P35354	Cyclooxygenase-2	90.53%	89.63%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.41%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.39%	97.25%
CHEMBL5255	O00206	Toll-like receptor 4	88.40%	92.50%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	88.27%	99.23%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	86.67%	100.00%
CHEMBL2996	Q05655	Protein kinase C delta	86.65%	97.79%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.75%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.27%	95.56%
CHEMBL299	P17252	Protein kinase C alpha	82.23%	98.03%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.09%	94.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 49818210
• NPASS: NPC117939
• LOTUS: LTS0097505
• wikiData: Q77279650