10-Methoxycorynan-17-ol

Details

• Internal ID: d8802f7f-3ce7-4e5e-8a72-25e889801c1a
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
• IUPAC Name: 2-[(2R,3R,12bS)-3-ethyl-9-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
• SMILES (Canonical): CCC1CN2CCC3=C(C2CC1CCO)NC4=C3C=C(C=C4)OC
• SMILES (Isomeric): CC[C@H]1CN2CCC3=C([C@@H]2C[C@@H]1CCO)NC4=C3C=C(C=C4)OC
• InChI: InChI=1S/C20H28N2O2/c1-3-13-12-22-8-6-16-17-11-15(24-2)4-5-18(17)21-20(16)19(22)10-14(13)7-9-23/h4-5,11,13-14,19,21,23H,3,6-10,12H2,1-2H3/t13-,14-,19-/m0/s1
• InChI Key: UWSNHYUOZVVHPS-NJSLBKSFSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₈N₂O₂
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.215078140 g/mol
• Topological Polar Surface Area (TPSA): 48.50 Ų
• XlogP: 3.20

Synonyms

• 2-[(2R,3R,12bS)-3-ethyl-9-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
• 10-Methoxycorynan-17-ol

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.07%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.44%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.86%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.35%	97.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	94.92%	92.94%
CHEMBL3192	Q9BY41	Histone deacetylase 8	93.27%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.46%	95.56%
CHEMBL2535	P11166	Glucose transporter	89.66%	98.75%
CHEMBL5747	Q92793	CREB-binding protein	89.50%	95.12%
CHEMBL1907	P15144	Aminopeptidase N	89.04%	93.31%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	88.62%	91.71%
CHEMBL255	P29275	Adenosine A2b receptor	86.67%	98.59%
CHEMBL3060	Q9Y345	Glycine transporter 2	86.24%	99.17%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.99%	95.89%
CHEMBL4208	P20618	Proteasome component C5	82.97%	90.00%
CHEMBL2581	P07339	Cathepsin D	82.65%	98.95%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	81.56%	90.95%
CHEMBL240	Q12809	HERG	80.65%	89.76%
CHEMBL3820	P35557	Hexokinase type IV	80.62%	91.96%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	80.39%	92.62%

Plants that contains it

• Aspidosperma excelsum

Cross-Links

• PubChem: 14488056
• LOTUS: LTS0136409
• wikiData: Q105280528