(6S,9R)-6-hydroxy-2,2,5,9-tetramethyl-6,7,8,9-tetrahydro-1H-cyclopenta[8]annulen-3-one

Details

• Internal ID: 20913891-6322-4c8f-87b3-12972a71f74e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (6S,9R)-6-hydroxy-2,2,5,9-tetramethyl-6,7,8,9-tetrahydro-1H-cyclopenta[8]annulen-3-one
• InChI: InChI=1S/C15H22O2/c1-9-5-6-13(16)10(2)7-11-12(9)8-15(3,4)14(11)17/h7,9,13,16H,5-6,8H2,1-4H3/t9-,13+/m1/s1
• InChI Key: XWJRORQTJORDHX-RNCFNFMXSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33 g/mol
• Exact Mass: 234.161979940 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 2.00

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.83%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.55%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.15%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.38%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	87.34%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.61%	97.09%
CHEMBL1871	P10275	Androgen Receptor	86.20%	96.43%
CHEMBL241	Q14432	Phosphodiesterase 3A	83.81%	92.94%
CHEMBL1937	Q92769	Histone deacetylase 2	82.95%	94.75%
CHEMBL230	P35354	Cyclooxygenase-2	82.46%	89.63%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.90%	95.89%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.58%	99.23%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	81.58%	86.00%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.82%	100.00%

Plants that contains it

• Salvia farinacea

Cross-Links

• PubChem: 163019056
• LOTUS: LTS0221556
• wikiData: Q104968396