2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol

Details

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Internal ID 3137ad86-580c-465b-a8e2-721e3a5e5ef8
Taxonomy Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes
IUPAC Name 2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H23NO3/c1-21-14-4-3-12-5-7-19-8-6-15-16(18(12,19)11-14)9-13(20)10-17(15)22-2/h3,9-10,14,20H,4-8,11H2,1-2H3
InChI Key RDXIEGVPUDECJS-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H23NO3
Molecular Weight 301.40 g/mol
Exact Mass 301.16779360 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol

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 99.01% 96.09%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 95.19% 93.40%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.86% 91.11%
CHEMBL241 Q14432 Phosphodiesterase 3A 92.70% 92.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.16% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.39% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.25% 95.89%
CHEMBL4208 P20618 Proteasome component C5 87.46% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.25% 94.00%
CHEMBL5747 Q92793 CREB-binding protein 86.94% 95.12%
CHEMBL2535 P11166 Glucose transporter 85.92% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.11% 86.33%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 82.03% 91.03%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.38% 91.07%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 80.28% 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.
Nephroia orbiculata

Cross-Links

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PubChem 78173208
LOTUS LTS0137843
wikiData Q105234527