(1S,2R,5R,6S,7R,8R)-8-hydroxy-2,6,8-trimethyltricyclo[5.3.1.01,5]undecane-6-carboxylic acid

Details

• Internal ID: 02394b58-5046-4e63-95c8-afe0a24461ff
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Cedrane and isocedrane sesquiterpenoids
• IUPAC Name: (1S,2R,5R,6S,7R,8R)-8-hydroxy-2,6,8-trimethyltricyclo[5.3.1.01,5]undecane-6-carboxylic acid
• InChI: InChI=1S/C15H24O3/c1-9-4-5-10-14(3,12(16)17)11-8-15(9,10)7-6-13(11,2)18/h9-11,18H,4-8H2,1-3H3,(H,16,17)/t9-,10+,11+,13-,14+,15+/m1/s1
• InChI Key: FCNHCYIIJBAGAO-FWRNSZFQSA-N
• Popularity: 2 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: 2.60

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	93.48%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	92.27%	90.17%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.92%	97.25%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	90.04%	96.38%
CHEMBL340	P08684	Cytochrome P450 3A4	86.55%	91.19%
CHEMBL4227	P25090	Lipoxin A4 receptor	83.45%	100.00%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	80.96%	93.00%

Plants that contains it

• Juniperus osteosperma

Cross-Links

• PubChem: 162844216
• LOTUS: LTS0072036
• wikiData: Q104993233