Anaxagoreine

Details

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Internal ID 8818d797-fa55-49fb-80b9-409378a97af4
Taxonomy Alkaloids and derivatives > Aporphines > Hydroxy-7-aporphines
IUPAC Name 1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
SMILES (Canonical) COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3O)O
SMILES (Isomeric) COC1=C(C=C2CCNC3C2=C1C4=CC=CC=C4C3O)O
InChI InChI=1S/C17H17NO3/c1-21-17-12(19)8-9-6-7-18-15-13(9)14(17)10-4-2-3-5-11(10)16(15)20/h2-5,8,15-16,18-20H,6-7H2,1H3
InChI Key QDXOCDFPAQQYKD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H17NO3
Molecular Weight 283.32 g/mol
Exact Mass 283.12084340 g/mol
Topological Polar Surface Area (TPSA) 61.70 Ų
XlogP 1.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Anaxagoreine

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.13% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.20% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.82% 98.95%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 92.80% 91.79%
CHEMBL2535 P11166 Glucose transporter 92.47% 98.75%
CHEMBL213 P08588 Beta-1 adrenergic receptor 92.33% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 89.86% 91.49%
CHEMBL2056 P21728 Dopamine D1 receptor 89.09% 91.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.90% 97.09%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.07% 93.99%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.36% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.30% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.46% 99.15%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.97% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.56% 95.56%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.41% 93.03%
CHEMBL4208 P20618 Proteasome component C5 80.54% 90.00%
CHEMBL3438 Q05513 Protein kinase C zeta 80.53% 88.48%
CHEMBL5028 O14672 ADAM10 80.46% 97.50%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.40% 89.00%

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.
Cananga odorata
Magnolia officinalis

Cross-Links

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PubChem 13891860
LOTUS LTS0199279
wikiData Q105219024