Mayfoline

Details

• Internal ID: d8f4d5b1-4856-41c7-922d-f5da3bd3f72d
• Taxonomy: Phenylpropanoids and polyketides > Macrolactams
• IUPAC Name: (2S)-9-hydroxy-2-phenyl-1,5,9-triazacyclotridecan-4-one
• SMILES (Canonical): C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)O
• SMILES (Isomeric): C1CCN(CCCNC(=O)C[C@H](NC1)C2=CC=CC=C2)O
• InChI: InChI=1S/C16H25N3O2/c20-16-13-15(14-7-2-1-3-8-14)17-9-4-5-11-19(21)12-6-10-18-16/h1-3,7-8,15,17,21H,4-6,9-13H2,(H,18,20)/t15-/m0/s1
• InChI Key: QGMXLNCOBCGXMO-HNNXBMFYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₅N₃O₂
• Molecular Weight: 291.39 g/mol
• Exact Mass: 291.19467705 g/mol
• Topological Polar Surface Area (TPSA): 64.60 Ų
• XlogP: 1.00

Synonyms

• NSC370988
• 74133-16-7
• CHEMBL1988134
• DTXSID30321159
• NSC-370988
• NCI60_003416

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	97.83%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	94.14%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.70%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.02%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.67%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	89.99%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.56%	91.11%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	89.39%	99.23%
CHEMBL4208	P20618	Proteasome component C5	86.47%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.88%	86.33%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	84.26%	93.00%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	83.63%	96.39%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.89%	95.89%
CHEMBL3524	P56524	Histone deacetylase 4	81.19%	92.97%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.28%	93.03%

Plants that contains it

• Maytenus buxifolia

Cross-Links

• PubChem: 340416
• LOTUS: LTS0121223
• wikiData: Q82078914