3-methyl-5-(1,2,5-trimethyl-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl)pentanoic acid

Details

• Internal ID: d63b3703-5feb-4db9-b509-01908051f49f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: 3-methyl-5-(1,2,5-trimethyl-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl)pentanoic acid
• InChI: InChI=1S/C19H30O2/c1-13(12-18(20)21)10-11-19(4)15(3)8-9-16-14(2)6-5-7-17(16)19/h6,9,13,15,17H,5,7-8,10-12H2,1-4H3,(H,20,21)
• InChI Key: OBLQYEPQXABCJQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₀O₂
• Molecular Weight: 290.40 g/mol
• Exact Mass: 290.224580195 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 4.80

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.96%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.81%	98.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	92.01%	93.56%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	89.29%	96.47%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.15%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.22%	97.09%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	84.18%	95.89%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.20%	95.56%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.85%	93.00%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 14733562
• LOTUS: LTS0098286
• wikiData: Q105189056