4-[(4-Hydroxyphenyl)methyl]spiro[4.5]dec-1-en-8-ol

Details

• Internal ID: 5b52e7c0-2859-4c1b-a407-471871e25f4d
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: 4-[(4-hydroxyphenyl)methyl]spiro[4.5]dec-1-en-8-ol
• SMILES (Canonical): C1CC2(CCC1O)C=CCC2CC3=CC=C(C=C3)O
• SMILES (Isomeric): C1CC2(CCC1O)C=CCC2CC3=CC=C(C=C3)O
• InChI: InChI=1S/C17H22O2/c18-15-5-3-13(4-6-15)12-14-2-1-9-17(14)10-7-16(19)8-11-17/h1,3-6,9,14,16,18-19H,2,7-8,10-12H2
• InChI Key: KEECJKIZFAJVIX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.35 g/mol
• Exact Mass: 258.161979940 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.60

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	97.33%	91.11%
CHEMBL226	P30542	Adenosine A1 receptor	93.32%	95.93%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.55%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	92.43%	94.45%
CHEMBL4040	P28482	MAP kinase ERK2	91.57%	83.82%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.16%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.91%	97.09%
CHEMBL2581	P07339	Cathepsin D	88.29%	98.95%
CHEMBL3038469	P24941	CDK2/Cyclin A	85.96%	91.38%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	85.01%	89.67%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	82.79%	82.86%
CHEMBL242	Q92731	Estrogen receptor beta	81.90%	98.35%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.57%	95.89%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	80.27%	93.10%

Plants that contains it

• Sequoia sempervirens

Cross-Links

• PubChem: 73306849
• LOTUS: LTS0075509
• wikiData: Q105139903