(+)-alpha-Hydroxyerysotrine

Details

Top
Internal ID 30b0fd51-b49a-4d1e-8df2-5fd010b604fa
Taxonomy Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
IUPAC Name (2R,9S,13bS)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol
SMILES (Canonical) COC1CC23C(=CCN2CC(C4=CC(=C(C=C34)OC)OC)O)C=C1
SMILES (Isomeric) CO[C@@H]1C[C@@]23C(=CCN2C[C@H](C4=CC(=C(C=C34)OC)OC)O)C=C1
InChI InChI=1S/C19H23NO4/c1-22-13-5-4-12-6-7-20-11-16(21)14-8-17(23-2)18(24-3)9-15(14)19(12,20)10-13/h4-6,8-9,13,16,21H,7,10-11H2,1-3H3/t13-,16+,19-/m0/s1
InChI Key QWWCVLZNFFVFTR-CRFBAAHOSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C19H23NO4
Molecular Weight 329.40 g/mol
Exact Mass 329.16270821 g/mol
Topological Polar Surface Area (TPSA) 51.20 Ų
XlogP 1.00

Synonyms

Top
(+)-R-hydroxyerysotrine
CHEMBL217996
SCHEMBL14071718
(2R,9S,13Bs)-2,11,12-trimethoxy-2,6,8,9-tetrahydro-1H-indolo[7a,1-a]isoquinolin-9-ol

2D Structure

Top
2D Structure of (+)-alpha-Hydroxyerysotrine

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 98.47% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 94.71% 92.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.92% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.14% 85.14%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 85.81% 89.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.63% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.21% 86.33%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 84.47% 91.03%
CHEMBL2581 P07339 Cathepsin D 83.92% 98.95%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.72% 97.14%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.14% 91.07%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.74% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.55% 97.25%
CHEMBL2535 P11166 Glucose transporter 80.02% 98.75%

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 11472951
LOTUS LTS0184029
wikiData Q105229435