2,3,10,11-tetramethoxy-12-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

Details

• Internal ID: fd3e2590-85c1-4162-90e9-6856cd5ab4d8
• Taxonomy: Alkaloids and derivatives > Protoberberine alkaloids and derivatives
• IUPAC Name: 2,3,10,11-tetramethoxy-12-[(1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
• InChI: InChI=1S/C42H48N2O9/c1-43-12-11-25-36-30(43)14-23-16-34(33(47-4)20-27(23)37(36)41(51-8)42(52-9)38(25)49-6)53-39-28-18-29-26-19-32(46-3)31(45-2)15-22(26)10-13-44(29)21-24(28)17-35(48-5)40(39)50-7/h15-17,19-20,29-30H,10-14,18,21H2,1-9H3
• InChI Key: AFLFUXQTWZZMDX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄₂H₄₈N₂O₉
• Molecular Weight: 724.80 g/mol
• Exact Mass: 724.33598111 g/mol
• Topological Polar Surface Area (TPSA): 89.60 Ų
• XlogP: 6.20

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	98.84%	96.09%
CHEMBL217	P14416	Dopamine D2 receptor	98.28%	95.62%
CHEMBL5747	Q92793	CREB-binding protein	97.32%	95.12%
CHEMBL2056	P21728	Dopamine D1 receptor	96.81%	91.00%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	95.96%	91.79%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	94.73%	93.40%
CHEMBL240	Q12809	HERG	94.29%	89.76%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	93.37%	91.03%
CHEMBL4302	P08183	P-glycoprotein 1	91.54%	92.98%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	91.25%	83.14%
CHEMBL4247	Q9UM73	ALK tyrosine kinase receptor	91.14%	96.86%
CHEMBL2581	P07339	Cathepsin D	90.83%	98.95%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.20%	97.25%
CHEMBL4208	P20618	Proteasome component C5	90.03%	90.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	89.67%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.34%	86.33%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.04%	89.62%
CHEMBL4835	P00338	L-lactate dehydrogenase A chain	87.65%	95.34%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.64%	93.99%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	87.46%	82.38%
CHEMBL5925	P22413	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	86.78%	92.38%
CHEMBL5608	Q16288	NT-3 growth factor receptor	85.76%	95.89%
CHEMBL284	P27487	Dipeptidyl peptidase IV	84.85%	95.69%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	84.46%	95.17%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.26%	85.14%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	83.90%	95.53%
CHEMBL1913	P09619	Platelet-derived growth factor receptor beta	83.28%	95.70%
CHEMBL2535	P11166	Glucose transporter	83.26%	98.75%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.80%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.74%	99.17%
CHEMBL4895	P30530	Tyrosine-protein kinase receptor UFO	81.50%	90.95%
CHEMBL1907	P15144	Aminopeptidase N	81.49%	93.31%
CHEMBL5319	Q08345	Epithelial discoidin domain-containing receptor 1	81.49%	90.30%
CHEMBL1938212	Q9UPP1	Histone lysine demethylase PHF8	81.00%	98.33%
CHEMBL2413	P32246	C-C chemokine receptor type 1	80.87%	89.50%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	80.36%	100.00%
CHEMBL4040	P28482	MAP kinase ERK2	80.04%	83.82%

Plants that contains it

• Thalictrum wangii

Cross-Links

• PubChem: 21600089
• LOTUS: LTS0073823
• wikiData: Q104911306