Corydaline

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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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	60 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₂H₂₇NO₄
Molecular Weight	369.50 g/mol
Exact Mass	369.19400834 g/mol
Topological Polar Surface Area (TPSA)	40.20 Å²
XlogP	3.60

Synonyms

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518-69-4

(+)-Corydaline

08N392L8VX

(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

CHEBI:14027

DTXSID90199735

2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine

NSC-406036

6H-DIBENZO(A,G)QUINOLIZINE, 5,8,13,13A-TETRAHYDRO-2,3,9,10-TETRAMETHOXY-13-METHYL-, (13S,13AR)-

(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
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

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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