(1S,5S,6R)-6-[(2S)-but-3-en-2-yl]-5-(2-hydroxy-2-methylpropyl)-3-methylcyclohex-2-en-1-ol

Details

• Internal ID: 06064214-f243-4d7a-940d-6e58311af0f5
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1S,5S,6R)-6-[(2S)-but-3-en-2-yl]-5-(2-hydroxy-2-methylpropyl)-3-methylcyclohex-2-en-1-ol
• InChI: InChI=1S/C15H26O2/c1-6-11(3)14-12(9-15(4,5)17)7-10(2)8-13(14)16/h6,8,11-14,16-17H,1,7,9H2,2-5H3/t11-,12-,13+,14-/m0/s1
• InChI Key: ALYKQEBAOLQDEG-FQUUOJAGSA-N
• Popularity: 2 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): 40.50 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	96.35%	97.25%
CHEMBL2581	P07339	Cathepsin D	95.78%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.94%	96.09%
CHEMBL2996	Q05655	Protein kinase C delta	92.44%	97.79%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.29%	91.11%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.16%	89.62%
CHEMBL3401	O75469	Pregnane X receptor	86.73%	94.73%
CHEMBL1977	P11473	Vitamin D receptor	86.21%	99.43%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	85.34%	90.93%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.22%	93.56%
CHEMBL218	P21554	Cannabinoid CB1 receptor	83.42%	96.61%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	82.10%	100.00%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	81.60%	96.47%
CHEMBL1907594	P30926	Neuronal acetylcholine receptor; alpha3/beta4	81.02%	97.23%

Plants that contains it

• Commiphora myrrha

Cross-Links

• PubChem: 163074328
• LOTUS: LTS0030377
• wikiData: Q104914433