beta-Norcoralydine

Details

• Internal ID: 411bfc09-59c5-42f3-86cb-cc7bf9020baa
• Taxonomy: Alkaloids and derivatives > Protoberberine alkaloids and derivatives
• IUPAC Name: 2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
• SMILES (Canonical): COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
• SMILES (Isomeric): COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCC2=C1)OC)OC)OC
• InChI: InChI=1S/C21H25NO4/c1-23-18-8-13-5-6-22-12-15-10-20(25-3)19(24-2)9-14(15)7-17(22)16(13)11-21(18)26-4/h8-11,17H,5-7,12H2,1-4H3
• InChI Key: YOAUKNYXWBTMMF-UHFFFAOYSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₅NO₄
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.17835828 g/mol
• Topological Polar Surface Area (TPSA): 40.20 Ų
• XlogP: 3.20

Synonyms

• d-Xylopinine
• (+-)-Xylopinine
• R-(+)-Xylopinine
• (+-)-Norcoralydine
• l-Xylopinine
• (+)-Xylopinine
• NSC 241040
• MLS002638117
• Berbine, 2,3,10,11-tetramethoxy-, (+-)-
• NSC10105
• 2,3,10,11-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
• 13407-95-9
• 6872-27-1
• 13aalpha-Berbine, 2,3,10,11-tetramethoxy-
• 13a-alpha-Berbine, 2,3,10,11-tetramethoxy-
• 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-, (+-)-
• 6H-DIBENZO(a,g)QUINOLIZINE, 5,8,13,13a-TETRAHYDRO-2,3,10,11-TETRAMETHOXY-, (R)-
• 2,10,11-Tetramethoxyberbine
• C21H25NO4
• Berbine,3,10,11-tetramethoxy-
• NSC 17067
• 6H-DIBENZO(a,g)QUINOLIZINE, 5,8,13,13a-TETRAHYDRO-2,3,10,11-TETRAMETHOXY-, (S)-
• 6H-Dibenzo[a, 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-
• 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-, (R)-
• 4216-86-8
• Tetrahydropseudopalmatine
• Oprea1_143577
• SCHEMBL910941
• CHEMBL2357282
• DTXSID50988420
• 2,3,10,11-Tetramethoxyberbine
• NSC-10105
• NSC118074
• NSC241040
• STK366271
• AKOS005443430
• Berbine, 2,3,10,11-tetramethoxy-
• NSC-118074
• NSC-241040
• LS-61254
• LS-61255
• LS-61257
• SMR001547608
• BERBINE,3-10,11-TETRAMETHOXY-, HYDRATE
• 2,3,10,11-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
• 2,3,10,11-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline
• 6H-Dibenzo[a,g]quinolizine, 5,8,13,13a-tetrahydro-2,3,10,11-tetramethoxy-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2362978	P43351	DNA repair protein RAD52 homolog	4490 nM	AC50	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.90%	96.09%
CHEMBL217	P14416	Dopamine D2 receptor	90.71%	95.62%
CHEMBL241	Q14432	Phosphodiesterase 3A	90.56%	92.94%
CHEMBL4040	P28482	MAP kinase ERK2	89.71%	83.82%
CHEMBL2581	P07339	Cathepsin D	89.27%	98.95%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	88.89%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.23%	86.33%
CHEMBL4247	Q9UM73	ALK tyrosine kinase receptor	87.11%	96.86%
CHEMBL5608	Q16288	NT-3 growth factor receptor	87.01%	95.89%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	85.99%	89.62%
CHEMBL2056	P21728	Dopamine D1 receptor	85.73%	91.00%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	85.70%	93.40%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	85.69%	85.14%
CHEMBL5747	Q92793	CREB-binding protein	85.12%	95.12%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	84.56%	90.24%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	84.43%	82.38%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.66%	94.45%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	82.57%	91.03%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.08%	93.99%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.72%	95.56%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.33%	97.14%

Plants that contains it

• Corydalis ternata
• Corydalis turtschaninovii
• Corydalis yanhusuo
• Stephania pierrei
• Stephania suberosa
• Xylopia discreta

Cross-Links

• PubChem: 10653
• NPASS: NPC128019
• ChEMBL: CHEMBL2357282
• LOTUS: LTS0273788
• wikiData: Q82976944