PlantaeDB Logo
Login Sign-up

Erythristemine

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID 8a31639e-bbed-4464-8534-0670953720a6
Taxonomy Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
IUPAC Name (2R,9R,13bS)-2,9,11,12-tetramethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
SMILES (Canonical) COC1CC23C(=CCN2CC(C4=CC(=C(C=C34)OC)OC)OC)C=C1
SMILES (Isomeric) CO[C@@H]1C[C@@]23C(=CCN2C[C@@H](C4=CC(=C(C=C34)OC)OC)OC)C=C1
InChI InChI=1S/C20H25NO4/c1-22-14-6-5-13-7-8-21-12-19(25-4)15-9-17(23-2)18(24-3)10-16(15)20(13,21)11-14/h5-7,9-10,14,19H,8,11-12H2,1-4H3/t14-,19-,20-/m0/s1
InChI Key IUMRZRWBQPPMSS-GKCIPKSASA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C20H25NO4
Molecular Weight 343.40 g/mol
Exact Mass 343.17835828 g/mol
Topological Polar Surface Area (TPSA) 40.20 Ų
XlogP 1.60

Synonyms

Top
28619-41-2
(2R,9R,13bS)-2,9,11,12-tetramethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinoline
1H-Indolo[7a,1-a]isoquinoline, erythrinan deriv.; Erythristemin
HY-N3858
AKOS032962321
FS-9716
CS-0024348

2D Structure

Top
2D Structure of Erythristemine

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

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 97.84% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 93.37% 92.94%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.85% 89.62%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.81% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.59% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.69% 85.14%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.09% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.62% 95.89%
CHEMBL2581 P07339 Cathepsin D 83.54% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.08% 86.33%
CHEMBL2535 P11166 Glucose transporter 82.07% 98.75%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.81% 90.24%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.56% 91.03%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.64% 91.11%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.44% 82.38%

Plants that contains it

Top
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 lysistemon
Erythrina verna

Cross-Links

Top
PubChem 12143915
LOTUS LTS0191131
wikiData Q104398735