(2R,5S,7R,8R)-8-hydroxy-6,6,8-trimethyltricyclo[5.3.1.01,5]undecane-2-carboxylic acid

Details

• Internal ID: 9c61e230-a606-4749-81e8-46615683d13d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Cedrane and isocedrane sesquiterpenoids
• IUPAC Name: (2R,5S,7R,8R)-8-hydroxy-6,6,8-trimethyltricyclo[5.3.1.01,5]undecane-2-carboxylic acid
• InChI: InChI=1S/C15H24O3/c1-13(2)10-5-4-9(12(16)17)15(10)7-6-14(3,18)11(13)8-15/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11+,14+,15?/m0/s1
• InChI Key: FRJSLEWOWKLZSF-DKUFTCSBSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₃
• Molecular Weight: 252.35 g/mol
• Exact Mass: 252.17254462 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 2.40

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.69%	97.25%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.66%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	87.97%	90.17%
CHEMBL4227	P25090	Lipoxin A4 receptor	83.82%	100.00%
CHEMBL4040	P28482	MAP kinase ERK2	82.32%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.22%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.15%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.12%	97.09%

Plants that contains it

• Juniperus squamata

Cross-Links

• PubChem: 163187752
• LOTUS: LTS0059762
• wikiData: Q105000204