(1S,2R,5S,6R,7S,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undecan-7-ol

Details

• Internal ID: 6ec27685-b061-4d0c-b979-20cdbe195f0b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1S,2R,5S,6R,7S,8S)-2,8-dimethyl-5-propan-2-yl-11-oxatricyclo[6.2.1.01,6]undecan-7-ol
• SMILES (Canonical): CC1CCC(C2C13CCC(C2O)(O3)C)C(C)C
• SMILES (Isomeric): C[C@@H]1CC[C@H]([C@H]2[C@]13CC[C@@]([C@H]2O)(O3)C)C(C)C
• InChI: InChI=1S/C15H26O2/c1-9(2)11-6-5-10(3)15-8-7-14(4,17-15)13(16)12(11)15/h9-13,16H,5-8H2,1-4H3/t10-,11+,12-,13+,14+,15+/m1/s1
• InChI Key: KYCJKHVCYJLBJM-QZOBBIQNSA-N
• Popularity: 1 reference 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): 29.50 Ų
• XlogP: 3.20

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	93.99%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.63%	96.09%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	87.62%	96.47%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.87%	95.89%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.07%	100.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.99%	97.25%
CHEMBL4227	P25090	Lipoxin A4 receptor	82.12%	100.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.27%	95.56%

Plants that contains it

• Taiwania cryptomerioides

Cross-Links

• PubChem: 101434800
• LOTUS: LTS0079106
• wikiData: Q105147643