2-(4-Hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)acetic acid

Details

• Internal ID: ea8886af-86b6-488d-be33-c72208dd3447
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclic alcohols and derivatives
• IUPAC Name: 2-(4-hydroxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)acetic acid
• InChI: InChI=1S/C16H26O3/c1-10-6-5-7-12-15(3,9-14(18)19)11(2)8-13(17)16(10,12)4/h6,11-13,17H,5,7-9H2,1-4H3,(H,18,19)
• InChI Key: BVHOLKYWIZNZRF-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₆O₃
• Molecular Weight: 266.38 g/mol
• Exact Mass: 266.18819469 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.90

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	96.14%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	93.86%	90.17%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.13%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.00%	91.11%
CHEMBL2581	P07339	Cathepsin D	87.69%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.59%	97.25%
CHEMBL5028	O14672	ADAM10	84.41%	97.50%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.71%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.83%	95.56%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	81.72%	86.00%
CHEMBL340	P08684	Cytochrome P450 3A4	80.22%	91.19%

Plants that contains it

• Dicranopteris linearis

Cross-Links

• PubChem: 162899555
• LOTUS: LTS0084479
• wikiData: Q104946576