4,16-Dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,14,16-hexaen-5-ol

Details

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Internal ID 68de4495-984d-4baa-be2a-d59970a67876
Taxonomy Benzenoids > Phenol ethers > Anisoles
IUPAC Name 4,16-dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,14,16-hexaen-5-ol
SMILES (Canonical) CN1CCC2=C(C=C(C=C2)OC)C3=CC(=C(C=C3CC1)O)OC
SMILES (Isomeric) CN1CCC2=C(C=C(C=C2)OC)C3=CC(=C(C=C3CC1)O)OC
InChI InChI=1S/C19H23NO3/c1-20-8-6-13-4-5-15(22-2)11-16(13)17-12-19(23-3)18(21)10-14(17)7-9-20/h4-5,10-12,21H,6-9H2,1-3H3
InChI Key SMFDNCHPNJLRJG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H23NO3
Molecular Weight 313.40 g/mol
Exact Mass 313.16779360 g/mol
Topological Polar Surface Area (TPSA) 41.90 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,16-Dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2,4,6,14,16-hexaen-5-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 98.62% 96.09%
CHEMBL4208 P20618 Proteasome component C5 96.82% 90.00%
CHEMBL2056 P21728 Dopamine D1 receptor 95.44% 91.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.67% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.21% 91.11%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 93.58% 91.79%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.62% 93.99%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 91.52% 93.40%
CHEMBL5608 Q16288 NT-3 growth factor receptor 90.85% 95.89%
CHEMBL2581 P07339 Cathepsin D 90.75% 98.95%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.58% 92.94%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.18% 94.00%
CHEMBL1951 P21397 Monoamine oxidase A 89.63% 91.49%
CHEMBL2535 P11166 Glucose transporter 88.62% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.58% 86.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.43% 99.15%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 86.90% 91.03%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.45% 93.65%
CHEMBL1913 P09619 Platelet-derived growth factor receptor beta 85.26% 95.70%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.42% 99.17%
CHEMBL5747 Q92793 CREB-binding protein 83.85% 95.12%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.37% 100.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.63% 91.07%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 80.10% 90.95%

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.
Cocculus laurifolius

Cross-Links

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PubChem 85846863
LOTUS LTS0240089
wikiData Q105255871