Cyclamenol A

Details

• Internal ID: 667ae963-6a2f-4aa8-8ec5-094dc6d475c2
• Taxonomy: Phenylpropanoids and polyketides > Macrolactams
• IUPAC Name: (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one
• SMILES (Canonical): CC1CNC(=O)C=CC=CC=CCC(C=CC=CC=CC=C1)O
• SMILES (Isomeric): C[C@@H]1CNC(=O)C=CC=CC=CC[C@H](C=CC=CC=CC=C1)O
• InChI: InChI=1S/C20H25NO2/c1-18-13-9-5-2-3-6-10-14-19(22)15-11-7-4-8-12-16-20(23)21-17-18/h2-14,16,18-19,22H,15,17H2,1H3,(H,21,23)/t18-,19-/m0/s1
• InChI Key: ZGISRQDECHVCPS-OALUTQOASA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₅NO₂
• Molecular Weight: 311.40 g/mol
• Exact Mass: 311.188529040 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: 4.70

Synonyms

• RefChem:919331
• CHEBI:209797
• (10R,19S)-10-hydroxy-19-methyl-1-azacycloicosa-3,5,7,11,13,15,17-heptaen-2-one

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	94.30%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.10%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.01%	97.25%
CHEMBL2581	P07339	Cathepsin D	90.05%	98.95%
CHEMBL4208	P20618	Proteasome component C5	83.95%	90.00%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	83.76%	90.71%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.74%	100.00%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	82.69%	93.03%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.51%	95.56%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.35%	89.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.23%	89.34%
CHEMBL3137262	O60341	LSD1/CoREST complex	82.04%	97.09%
CHEMBL5103	Q969S8	Histone deacetylase 10	81.78%	90.08%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.15%	99.23%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.59%	94.45%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	80.35%	91.07%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 146683209
• LOTUS: LTS0230377
• wikiData: Q105375225