Erybidine

Details

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Internal ID a8ca15fa-1531-4360-9378-904d8d1d4cf2
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name 4,15,16-trimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-5-ol
SMILES (Canonical) CN1CCC2=CC(=C(C=C2C3=CC(=C(C=C3CC1)OC)OC)OC)O
SMILES (Isomeric) CN1CCC2=CC(=C(C=C2C3=CC(=C(C=C3CC1)OC)OC)OC)O
InChI InChI=1S/C20H25NO4/c1-21-7-5-13-9-17(22)18(23-2)11-15(13)16-12-20(25-4)19(24-3)10-14(16)6-8-21/h9-12,22H,5-8H2,1-4H3
InChI Key LWHZICJJSLUOJI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H25NO4
Molecular Weight 343.40 g/mol
Exact Mass 343.17835828 g/mol
Topological Polar Surface Area (TPSA) 51.20 Ų
XlogP 2.40

Synonyms

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34083-19-7
5H-Dibenz(d,f)azonin-3-ol, 6,7,8,9-tetrahydro-2,11,12-trimethoxy-7-methyl-
DTXSID80187681

2D Structure

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2D Structure of Erybidine

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 98.21% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 95.72% 92.94%
CHEMBL2056 P21728 Dopamine D1 receptor 94.54% 91.00%
CHEMBL2581 P07339 Cathepsin D 92.56% 98.95%
CHEMBL4208 P20618 Proteasome component C5 91.43% 90.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 90.22% 91.79%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.73% 95.56%
CHEMBL2535 P11166 Glucose transporter 88.12% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.08% 93.99%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 87.64% 93.40%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 87.38% 95.70%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.28% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.02% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.85% 95.89%
CHEMBL5747 Q92793 CREB-binding protein 86.70% 95.12%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.34% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.93% 85.14%
CHEMBL217 P14416 Dopamine D2 receptor 84.75% 95.62%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.54% 93.65%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.00% 91.03%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.05% 99.17%

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 mexicana
Erythrina variegata

Cross-Links

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PubChem 169567
LOTUS LTS0233498
wikiData Q83059393