Erysovine

Details

• Internal ID: 218ffb7e-88ee-4b92-9202-b620233e361d
• Taxonomy: Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
• IUPAC Name: (2R,13bS)-2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
• SMILES (Canonical): COC1CC23C(=CCN2CCC4=CC(=C(C=C34)O)OC)C=C1
• SMILES (Isomeric): CO[C@@H]1C[C@@]23C(=CCN2CCC4=CC(=C(C=C34)O)OC)C=C1
• InChI: InChI=1S/C18H21NO3/c1-21-14-4-3-13-6-8-19-7-5-12-9-17(22-2)16(20)10-15(12)18(13,19)11-14/h3-4,6,9-10,14,20H,5,7-8,11H2,1-2H3/t14-,18-/m0/s1
• InChI Key: IHPMURIXWRKEKD-KSSFIOAISA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₁NO₃
• Molecular Weight: 299.40 g/mol
• Exact Mass: 299.15214353 g/mol
• Topological Polar Surface Area (TPSA): 41.90 Ų
• XlogP: 1.80

Synonyms

• CHEMBL517778
• (2R,13bS)-2,11-dimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-12-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	98.76%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	97.04%	92.94%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.76%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.76%	94.45%
CHEMBL4208	P20618	Proteasome component C5	89.63%	90.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.39%	95.89%
CHEMBL5469	Q14289	Protein tyrosine kinase 2 beta	88.41%	91.03%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.47%	95.56%
CHEMBL217	P14416	Dopamine D2 receptor	86.36%	95.62%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.66%	94.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.62%	86.33%
CHEMBL2581	P07339	Cathepsin D	83.99%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	83.24%	85.14%
CHEMBL2056	P21728	Dopamine D1 receptor	83.09%	91.00%
CHEMBL2535	P11166	Glucose transporter	82.98%	98.75%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	81.67%	93.40%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	81.53%	89.62%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.40%	91.07%
CHEMBL3192	Q9BY41	Histone deacetylase 8	81.38%	93.99%

Plants that contains it

• Erythrina americana
• Erythrina berteroana
• Erythrina cochleata
• Erythrina crista-galli
• Erythrina edulis
• Erythrina fusca
• Erythrina latissima
• Erythrina melanacantha
• Erythrina speciosa
• Erythrina stricta
• Erythrina variegata
• Erythrina velutina

Cross-Links

• PubChem: 5317203
• LOTUS: LTS0148712
• wikiData: Q104250431