5-(1-hydroxy-2,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)penta-2,4-dienoic acid

Details

• Internal ID: a503a176-5d5d-4ff4-a3f9-4c30cb190550
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: 5-(1-hydroxy-2,6,8-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)penta-2,4-dienoic acid
• InChI: InChI=1S/C18H26O3/c1-12-10-13(2)17-15(11-12)8-7-14(3)18(17,21)9-5-4-6-16(19)20/h4-9,12-15,17,21H,10-11H2,1-3H3,(H,19,20)
• InChI Key: VNXMOWMLDLTMSQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₆O₃
• Molecular Weight: 290.40 g/mol
• Exact Mass: 290.18819469 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 3.80

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	94.41%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	86.19%	91.11%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.91%	86.33%
CHEMBL340	P08684	Cytochrome P450 3A4	84.79%	91.19%
CHEMBL4040	P28482	MAP kinase ERK2	84.03%	83.82%
CHEMBL206	P03372	Estrogen receptor alpha	82.98%	97.64%
CHEMBL230	P35354	Cyclooxygenase-2	81.71%	89.63%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.60%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.42%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.27%	97.09%
CHEMBL221	P23219	Cyclooxygenase-1	80.10%	90.17%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 85113753
• LOTUS: LTS0241781
• wikiData: Q104199646