15,16-Dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol

Details

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Internal ID 004e9917-779f-485c-9260-9261d9b9e67b
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name 15,16-dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol
SMILES (Canonical) CN1CCC2=CC(=C(C3=C2C1C4C(CC(CC=C3O4)O)O)OC)OC
SMILES (Isomeric) CN1CCC2=CC(=C(C3=C2C1C4C(CC(CC=C3O4)O)O)OC)OC
InChI InChI=1S/C19H25NO5/c1-20-7-6-10-8-14(23-2)19(24-3)16-13-5-4-11(21)9-12(22)18(25-13)17(20)15(10)16/h5,8,11-12,17-18,21-22H,4,6-7,9H2,1-3H3
InChI Key OLOHLLRDMVSIEU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H25NO5
Molecular Weight 347.40 g/mol
Exact Mass 347.17327290 g/mol
Topological Polar Surface Area (TPSA) 71.40 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 15,16-Dimethoxy-10-methyl-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol

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 98.89% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.19% 85.14%
CHEMBL4208 P20618 Proteasome component C5 91.20% 90.00%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 88.64% 91.79%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.22% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.91% 91.11%
CHEMBL2413 P32246 C-C chemokine receptor type 1 87.75% 89.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.63% 94.00%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 86.97% 91.03%
CHEMBL2056 P21728 Dopamine D1 receptor 86.40% 91.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 86.39% 95.89%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 86.00% 82.38%
CHEMBL217 P14416 Dopamine D2 receptor 85.24% 95.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.15% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.94% 86.33%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 83.98% 93.40%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.75% 92.62%
CHEMBL5747 Q92793 CREB-binding protein 81.03% 95.12%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 80.75% 89.32%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 80.15% 95.78%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.11% 93.99%

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.
Stephania excentrica

Cross-Links

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PubChem 85241732
LOTUS LTS0183522
wikiData Q105194065