(+)-Erysotramidine

Details

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Internal ID 2f849b8f-6dc2-4582-ba06-505912f9580b
Taxonomy Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
IUPAC Name 2,11,12-trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one
SMILES (Canonical) COC1CC23C(=CC(=O)N2CCC4=CC(=C(C=C34)OC)OC)C=C1
SMILES (Isomeric) COC1CC23C(=CC(=O)N2CCC4=CC(=C(C=C34)OC)OC)C=C1
InChI InChI=1S/C19H21NO4/c1-22-14-5-4-13-9-18(21)20-7-6-12-8-16(23-2)17(24-3)10-15(12)19(13,20)11-14/h4-5,8-10,14H,6-7,11H2,1-3H3
InChI Key AUDDBHVKKYSXKU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H21NO4
Molecular Weight 327.40 g/mol
Exact Mass 327.14705815 g/mol
Topological Polar Surface Area (TPSA) 48.00 Ų
XlogP 1.50

Synonyms

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2,11,12-Trimethoxy-1,2,8,9-tetrahydroindolo[7a,1-a]isoquinolin-6-one

2D Structure

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2D Structure of (+)-Erysotramidine

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 98.03% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.89% 85.14%
CHEMBL241 Q14432 Phosphodiesterase 3A 95.75% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.14% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.86% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.33% 86.33%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 87.43% 97.14%
CHEMBL217 P14416 Dopamine D2 receptor 86.89% 95.62%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 84.79% 93.40%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 84.44% 92.38%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 84.13% 82.38%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.92% 93.99%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.01% 100.00%
CHEMBL2581 P07339 Cathepsin D 82.64% 98.95%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 82.05% 95.53%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.97% 95.89%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.79% 91.11%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.72% 91.07%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.23% 91.03%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 80.77% 96.86%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.74% 94.78%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 80.14% 90.24%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Erythrina latissima
Erythrina lysistemon

Cross-Links

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PubChem 14589898
LOTUS LTS0057423
wikiData Q104918856