Olivoretin C

Details

• Internal ID: c5cbb859-f11c-486d-927f-9eef015e0adb
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acid amides
• IUPAC Name: (6S,9S,14R,17R)-14-ethenyl-6-(methoxymethyl)-10,14,17-trimethyl-9,17-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one
• InChI: InChI=1S/C29H43N3O2/c1-10-28(6)11-12-29(7,18(4)5)24-21(28)14-22-23-19(15-30-25(23)24)13-20(16-34-9)31-27(33)26(17(2)3)32(22)8/h10,14-15,17-18,20,26,30H,1,11-13,16H2,2-9H3,(H,31,33)/t20-,26-,28-,29+/m0/s1
• InChI Key: SPQULBFESHXGLU-ZVYOULDASA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₄₃N₃O₂
• Molecular Weight: 465.70 g/mol
• Exact Mass: 465.33552762 g/mol
• Topological Polar Surface Area (TPSA): 57.40 Ų
• XlogP: 7.00

Synonyms

• 90599-28-3
• Olivoretine C
• DTXSID30238213
• 6H-Benzo(g)(1,4)diazonino(7,6,5-cd)indol-6-one, 10-ethenyl-1,3,4,5,7,8,10,11,12,13-decahydro-4-(methoxymethyl)-8,10,13- trimethyl-7,13-bis(1-methylethyl)-, (4S,7S,10R,13R)-

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
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	99.24%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.17%	96.09%
CHEMBL2581	P07339	Cathepsin D	96.95%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	96.77%	94.75%
CHEMBL253	P34972	Cannabinoid CB2 receptor	95.89%	97.25%
CHEMBL217	P14416	Dopamine D2 receptor	95.51%	95.62%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	93.30%	93.03%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.98%	86.33%
CHEMBL233	P35372	Mu opioid receptor	92.28%	97.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.86%	91.11%
CHEMBL3192	Q9BY41	Histone deacetylase 8	90.90%	93.99%
CHEMBL228	P31645	Serotonin transporter	90.59%	95.51%
CHEMBL5608	Q16288	NT-3 growth factor receptor	90.03%	95.89%
CHEMBL2996	Q05655	Protein kinase C delta	89.64%	97.79%
CHEMBL236	P41143	Delta opioid receptor	89.29%	99.35%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.51%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.09%	95.56%
CHEMBL1907	P15144	Aminopeptidase N	87.78%	93.31%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	87.59%	90.71%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	87.39%	91.03%
CHEMBL4073	P09237	Matrix metalloproteinase 7	86.71%	97.56%
CHEMBL213	P08588	Beta-1 adrenergic receptor	86.07%	95.56%
CHEMBL2535	P11166	Glucose transporter	85.74%	98.75%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.52%	100.00%
CHEMBL1907598	P05106	Integrin alpha-V/beta-3	84.52%	95.71%
CHEMBL255	P29275	Adenosine A2b receptor	84.37%	98.59%
CHEMBL321	P14780	Matrix metalloproteinase 9	83.99%	92.12%
CHEMBL238	Q01959	Dopamine transporter	83.27%	95.88%
CHEMBL5103	Q969S8	Histone deacetylase 10	83.19%	90.08%
CHEMBL4208	P20618	Proteasome component C5	82.56%	90.00%
CHEMBL2964	P36507	Dual specificity mitogen-activated protein kinase kinase 2	82.46%	80.00%
CHEMBL1902	P62942	FK506-binding protein 1A	82.44%	97.05%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.37%	89.00%
CHEMBL284	P27487	Dipeptidyl peptidase IV	81.83%	95.69%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	81.17%	89.34%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	80.72%	90.24%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 185030
• LOTUS: LTS0131434
• wikiData: Q83120476