(1S,6S)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-ol

Details

• Internal ID: 5ca0e9f6-9b0a-4c94-b675-2a95917bc49b
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1S,6S)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-ol
• SMILES (Canonical): CC1=CC(C(CC1)C(C)CCC=C(C)C)O
• SMILES (Isomeric): CC1=C[C@H]([C@@H](CC1)[C@@H](C)CCC=C(C)C)O
• InChI: InChI=1S/C15H26O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-16H,5,7-9H2,1-4H3/t13-,14-,15+/m0/s1
• InChI Key: ZOYAMQNIYAMHTE-SOUVJXGZSA-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: 4.10

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
CHEMBL2581	P07339	Cathepsin D	94.80%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	90.90%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.07%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.20%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.04%	93.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	86.20%	94.45%
CHEMBL5608	Q16288	NT-3 growth factor receptor	84.61%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.38%	97.09%
CHEMBL4005	P42336	PI3-kinase p110-alpha subunit	83.29%	97.47%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.18%	95.56%
CHEMBL3130	O00329	PI3-kinase p110-delta subunit	80.96%	96.47%

Plants that contains it

• Argyranthemum adauctum

Cross-Links

• PubChem: 163062771
• LOTUS: LTS0083696
• wikiData: Q105380778