ent-Intermedeol

Details

• Internal ID: df819385-8b91-4f91-b106-c89f3760326d
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
• IUPAC Name: (1R,4aR,7S,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
• SMILES (Canonical): CC(=C)C1CCC2(CCCC(C2C1)(C)O)C
• SMILES (Isomeric): CC(=C)[C@H]1CC[C@]2(CCC[C@@]([C@@H]2C1)(C)O)C
• InChI: InChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h12-13,16H,1,5-10H2,2-4H3/t12-,13+,14+,15+/m0/s1
• InChI Key: DPQYOKVMVCQHMY-GBJTYRQASA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 4.50

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	97.59%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	94.27%	82.69%
CHEMBL241	Q14432	Phosphodiesterase 3A	91.80%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.95%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.85%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.64%	96.09%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	84.79%	98.99%
CHEMBL2996	Q05655	Protein kinase C delta	84.58%	97.79%
CHEMBL4224	P49759	Dual specificty protein kinase CLK1	83.77%	85.30%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.19%	100.00%
CHEMBL259	P32245	Melanocortin receptor 4	82.13%	95.38%
CHEMBL237	P41145	Kappa opioid receptor	81.43%	98.10%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	81.16%	93.04%

Plants that contains it

• Chiliadenus candicans
• Chiliadenus montanus
• Dovyalis abyssinica
• Eucalyptus cordata
• Fagraea fragrans
• Monactis macbridei
• Nephelium ramboutan-ake

Cross-Links

• PubChem: 6566044
• NPASS: NPC118040
• LOTUS: LTS0181352
• wikiData: Q104986659