5-(Hydroxymethyl)-2-(6-methylhept-2-en-2-yl)phenol

Details

• Internal ID: 91cc25a8-d99c-4ac8-9cc3-80ea2827490a
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 5-(hydroxymethyl)-2-(6-methylhept-2-en-2-yl)phenol
• SMILES (Canonical): CC(C)CCC=C(C)C1=C(C=C(C=C1)CO)O
• SMILES (Isomeric): CC(C)CCC=C(C)C1=C(C=C(C=C1)CO)O
• InChI: InChI=1S/C15H22O2/c1-11(2)5-4-6-12(3)14-8-7-13(10-16)9-15(14)17/h6-9,11,16-17H,4-5,10H2,1-3H3
• InChI Key: NWPUHDAIOGMKFI-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.33 g/mol
• Exact Mass: 234.161979940 g/mol
• Topological Polar Surface Area (TPSA): 40.50 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	97.33%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.11%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.82%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.83%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	85.98%	94.73%
CHEMBL3492	P49721	Proteasome Macropain subunit	85.31%	90.24%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	84.54%	93.10%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.36%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.76%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.25%	93.99%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.70%	95.50%

Plants that contains it

• Pinus strobus

Cross-Links

• PubChem: 68163816
• LOTUS: LTS0132090
• wikiData: Q105186757