2-(6-Hydroxy-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)propanoic acid

Details

• Internal ID: a17ae102-0955-4170-83dd-7671fa034e3d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 2-(6-hydroxy-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)propanoic acid
• InChI: InChI=1S/C15H22O3/c1-8-4-5-11(10(3)15(17)18)13-6-9(2)14(16)7-12(8)13/h4,6,10-14,16H,5,7H2,1-3H3,(H,17,18)
• InChI Key: FHZJEKGROMUBDB-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₃
• Molecular Weight: 250.33 g/mol
• Exact Mass: 250.15689456 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 1.50

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	92.82%	96.09%
CHEMBL3359	P21462	Formyl peptide receptor 1	91.48%	93.56%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.00%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	84.82%	90.71%
CHEMBL2581	P07339	Cathepsin D	83.42%	98.95%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.20%	97.09%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.98%	97.21%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.24%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162924517
• LOTUS: LTS0132228
• wikiData: Q103819019