(6,6,8-Trimethyl-2-tricyclo[5.3.1.01,5]undec-8-enyl)methanol

Details

• Internal ID: 11cb2844-72b7-42a6-b91d-259833014e42
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Cedrane and isocedrane sesquiterpenoids
• IUPAC Name: (6,6,8-trimethyl-2-tricyclo[5.3.1.01,5]undec-8-enyl)methanol
• SMILES (Canonical): CC1=CCC23CC1C(C2CCC3CO)(C)C
• SMILES (Isomeric): CC1=CCC23CC1C(C2CCC3CO)(C)C
• InChI: InChI=1S/C15H24O/c1-10-6-7-15-8-12(10)14(2,3)13(15)5-4-11(15)9-16/h6,11-13,16H,4-5,7-9H2,1-3H3
• InChI Key: SNPNUENVUPIHQQ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.35 g/mol
• Exact Mass: 220.182715385 g/mol
• Topological Polar Surface Area (TPSA): 20.20 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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.52%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.40%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.53%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	91.78%	97.09%
CHEMBL4040	P28482	MAP kinase ERK2	82.34%	83.82%
CHEMBL1994	P08235	Mineralocorticoid receptor	81.98%	100.00%
CHEMBL2581	P07339	Cathepsin D	80.80%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.51%	95.89%

Plants that contains it

• Juniperus thurifera

Cross-Links

• PubChem: 153695996
• LOTUS: LTS0120870
• wikiData: Q105256611