Corydaline

Details

• Internal ID: 1434b2d8-3ed4-4694-9746-f21a6851e222
• Taxonomy: Alkaloids and derivatives > Protoberberine alkaloids and derivatives
• IUPAC Name: (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
• SMILES (Canonical): CC1C2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
• SMILES (Isomeric): C[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2CC4=C1C=CC(=C4OC)OC)OC)OC
• InChI: InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1
• InChI Key: VRSRXLJTYQVOHC-YEJXKQKISA-N
• Popularity: 42 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₇NO₄
• Molecular Weight: 369.50 g/mol
• Exact Mass: 369.19400834 g/mol
• Topological Polar Surface Area (TPSA): 40.20 Ų
• XlogP: 3.60

Synonyms

• 518-69-4
• (+)-Corydaline
• d-Corydaline
• Corydalin
• (+/-)-Corydaline
• Corydaline, (+/-)-
• Corydaline DL-form [MI]
• NSC 406036
• NSC-298182
• BRN 0096972
• UNII-6MUC9717YK
• UNII-08N392L8VX
• 6MUC9717YK
• CHEBI:14027
• Berbine, 2,3,9,10-tetramethoxy-13-methyl-
• 08N392L8VX
• (13SR,13Ars)-5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-6H-dibenzo(a,g)-quinolizine
• 5-21-06-00173 (Beilstein Handbook Reference)
• 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13R,13aS)-rel-
• 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-E)-
• 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, trans-(+/-)-
• 2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine
• 13abeta-Berbine, 2,3,9,10-tetramethoxy-13alpha-methyl-
• 13a-beta-Berbine, 2,3,9,10-tetramethoxy-13-alpha-methyl-
• Berbine, 2,3,9,10-tetramethoxy-13beta-methyl-, (+/-)-
• (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline
• 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-13-methyl-, (13S-trans)-
• (+)-Corydaline;Corydalin
• (13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
• 6018-35-5
• Corydalis A
• NSC-406036
• (13S,13AR)-5,8,13,13A-TETRAHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-6H-DIBENZO(A,G)-QUINOLIZINE
• (13S,13aR)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-13-methyl-6H-dibenzo[a,g]-quinolizine
• CORYDALINE [MI]
• CC1c2ccc(OC)c(OC)c2CN3CCc4cc(OC)c(OC)cc4C13
• SCHEMBL230676
• MEGxp0_000624
• CHEMBL2165401
• ACon0_001192
• ACon1_000349
• DTXSID90199735
• TCMDC-143075
• EX-A6789
• HY-N0923
• s9252
• AKOS030242363
• CCG-208480
• CS-4248
• AC-35003
• LS-55008
• 2,3,9,10-Tetramethoxy-13-methylberbine
• C-7350
• 7,8,13,13.ALPHA.-TETRAHYDROCORYDALINE
• SR-05000002225
• SR-05000002225-2
• BRD-K13148078-001-01-2
• Q15410920
• 2,3,9,10-tetramethoxy-13alpha-methyl-13abeta-berbine
• BERBINE, 2,3,9,10-TETRAMETHOXY-13.BETA.-METHYL-, (+/-)-
• (13S)-5,8,13,13abeta-Tetrahydro-2,3,9,10-tetramethoxy-13alpha-methyl-6H-dibenzo[a,g]quinolizine
• 6H-DIBENZO(A,G)QUINOLIZINE, 5,8,13,13A-TETRAHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-, (13S,13AR)-

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	97.75%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	95.34%	86.33%
CHEMBL3192	Q9BY41	Histone deacetylase 8	95.03%	93.99%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	92.04%	93.40%
CHEMBL2535	P11166	Glucose transporter	91.42%	98.75%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	91.14%	100.00%
CHEMBL4302	P08183	P-glycoprotein 1	90.51%	92.98%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	89.53%	89.62%
CHEMBL5747	Q92793	CREB-binding protein	89.47%	95.12%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.01%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	88.56%	92.94%
CHEMBL2056	P21728	Dopamine D1 receptor	86.94%	91.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.54%	95.56%
CHEMBL217	P14416	Dopamine D2 receptor	85.20%	95.62%
CHEMBL4247	Q9UM73	ALK tyrosine kinase receptor	84.89%	96.86%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	84.62%	89.05%
CHEMBL2069156	Q14145	Kelch-like ECH-associated protein 1	83.36%	82.38%
CHEMBL2581	P07339	Cathepsin D	82.97%	98.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.97%	97.21%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.09%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.48%	97.09%
CHEMBL2781	P19634	Sodium/hydrogen exchanger 1	80.64%	90.24%

Plants that contains it

• Berberis floribunda
• Corydalis ambigua
• Corydalis cava
• Corydalis decumbens
• Corydalis incisa
• Corydalis intermedia
• Corydalis pallida
• Corydalis rutifolia
• Corydalis saxicola
• Corydalis sewerzowi
• Corydalis solida
• Corydalis ternata
• Corydalis turtschaninovii
• Corydalis yanhusuo
• Dovyalis hebecarpa
• Eremophila oppositifolia
• Fibraurea recisa
• Ixeris repens
• Menispermum dauricum
• Taxillus sutchuenensis var. duclouxii

Cross-Links

• PubChem: 101301
• NPASS: NPC7467
• ChEMBL: CHEMBL2165401
• LOTUS: LTS0168675
• wikiData: Q15410920