(2R,3E,5Z)-1-[(2R)-1-methylpyrrolidin-2-yl]-6-phenylhexa-3,5-dien-2-ol

Details

• Internal ID: 23d9b4d7-90de-4993-a81c-4b879924979c
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: (2R,3E,5Z)-1-[(2R)-1-methylpyrrolidin-2-yl]-6-phenylhexa-3,5-dien-2-ol
• InChI: InChI=1S/C17H23NO/c1-18-13-7-11-16(18)14-17(19)12-6-5-10-15-8-3-2-4-9-15/h2-6,8-10,12,16-17,19H,7,11,13-14H2,1H3/b10-5-,12-6+/t16-,17+/m1/s1
• InChI Key: NTGQEIWCKMMRRN-XCTNLYPCSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₃NO
• Molecular Weight: 257.37 g/mol
• Exact Mass: 257.177964357 g/mol
• Topological Polar Surface Area (TPSA): 23.50 Ų
• XlogP: 3.30

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	97.22%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.22%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.19%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	90.02%	90.17%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.57%	89.62%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.33%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.34%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	84.47%	93.99%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.12%	85.14%
CHEMBL5805	Q9NR97	Toll-like receptor 8	83.54%	96.25%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.96%	95.89%
CHEMBL1795139	Q8IU80	Transmembrane protease serine 6	81.94%	98.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.55%	91.11%

Plants that contains it

• Darlingia darlingiana

Cross-Links

• PubChem: 163194291
• LOTUS: LTS0214043
• wikiData: Q105185444