(1S,2R,3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol

Details

• Internal ID: 9c6d1f49-efb5-42a8-8fcb-4ed3e3134334
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids
• IUPAC Name: (1S,2R,3S,6E,10S)-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-2-ol
• InChI: InChI=1S/C15H26O2/c1-10(2)12-8-7-11(3)6-5-9-15(4)14(17-15)13(12)16/h6,10,12-14,16H,5,7-9H2,1-4H3/b11-6+/t12-,13+,14-,15-/m0/s1
• InChI Key: KLQPHHIQARFSDE-WJEMHLMNSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37 g/mol
• Exact Mass: 238.193280068 g/mol
• Topological Polar Surface Area (TPSA): 32.80 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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.02%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.98%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	90.22%	100.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.03%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.70%	97.09%
CHEMBL2581	P07339	Cathepsin D	86.03%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	85.54%	97.25%
CHEMBL221	P23219	Cyclooxygenase-1	84.73%	90.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.27%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.99%	89.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	83.76%	93.56%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	83.43%	95.89%
CHEMBL1871	P10275	Androgen Receptor	82.51%	96.43%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.27%	94.45%

Plants that contains it

• Santolina canescens

Cross-Links

• PubChem: 14109690
• LOTUS: LTS0073017
• wikiData: Q105142767