(5-Methyl-8-prop-1-en-2-yl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)methanol

Details

• Internal ID: 1e969375-b708-4e51-a10d-0f8221383c62
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (5-methyl-8-prop-1-en-2-yl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)methanol
• SMILES (Canonical): CC1CCC(C2C1CCC(=C2)CO)C(=C)C
• SMILES (Isomeric): CC1CCC(C2C1CCC(=C2)CO)C(=C)C
• InChI: InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8,11,13-16H,1,4-7,9H2,2-3H3
• InChI Key: WLYWLGVSETTZFS-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: 3.80

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	97.26%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	93.73%	83.82%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.34%	97.25%
CHEMBL2581	P07339	Cathepsin D	88.87%	98.95%
CHEMBL226	P30542	Adenosine A1 receptor	88.57%	95.93%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.57%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.82%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.18%	100.00%

Plants that contains it

• Reboulia hemisphaerica

Cross-Links

• PubChem: 101417838
• LOTUS: LTS0081855
• wikiData: Q105308363