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

Details

• Internal ID: 0d6885fc-2fe2-4e55-a582-63ee4e3077ee
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1S,5S)-5-[(2R)-6-methylhept-5-en-2-yl]-2-methylidenecyclohex-3-en-1-ol
• SMILES (Canonical): CC(CCC=C(C)C)C1CC(C(=C)C=C1)O
• SMILES (Isomeric): C[C@H](CCC=C(C)C)[C@@H]1C[C@@H](C(=C)C=C1)O
• InChI: InChI=1S/C15H24O/c1-11(2)6-5-7-12(3)14-9-8-13(4)15(16)10-14/h6,8-9,12,14-16H,4-5,7,10H2,1-3H3/t12-,14+,15+/m1/s1
• InChI Key: UNSGLJWOHGSVLW-SNPRPXQTSA-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: 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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.09%	91.11%
CHEMBL2581	P07339	Cathepsin D	90.55%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.37%	94.45%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.85%	97.25%
CHEMBL221	P23219	Cyclooxygenase-1	88.96%	90.17%
CHEMBL3359	P21462	Formyl peptide receptor 1	86.85%	93.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.48%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.90%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.78%	100.00%

Plants that contains it

• Zingiber officinale

Cross-Links

• PubChem: 162948815
• LOTUS: LTS0125899
• wikiData: Q105276121