3,4,5,19-Tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-one

Details

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Internal ID 150f0eaf-c44d-4329-bc3b-1b034ea54fa5
Taxonomy Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins
IUPAC Name 3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H26O7/c1-11-7-13-8-15(25-3)20(26-4)22(27-5)17(13)18-14(19(24)12(11)2)9-16-21(23(18)28-6)30-10-29-16/h8-9,11-12H,7,10H2,1-6H3
InChI Key SODNIZGPTDJTHN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H26O7
Molecular Weight 414.40 g/mol
Exact Mass 414.16785316 g/mol
Topological Polar Surface Area (TPSA) 72.50 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,4,5,19-Tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-one

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
CHEMBL261 P00915 Carbonic anhydrase I 98.59% 96.76%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 97.39% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.19% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.67% 98.95%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 93.62% 96.86%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.33% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.44% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.79% 86.33%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 90.93% 82.67%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.50% 94.80%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 87.24% 92.62%
CHEMBL2535 P11166 Glucose transporter 87.04% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.88% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.88% 89.00%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.30% 100.00%
CHEMBL1966 Q02127 Dihydroorotate dehydrogenase 85.09% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.82% 99.17%
CHEMBL2413 P32246 C-C chemokine receptor type 1 84.35% 89.50%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 83.00% 94.03%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.59% 95.89%
CHEMBL5747 Q92793 CREB-binding protein 82.00% 95.12%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.94% 96.00%
CHEMBL217 P14416 Dopamine D2 receptor 80.93% 95.62%

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.
Schisandra rubriflora

Cross-Links

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PubChem 12835829
LOTUS LTS0085305
wikiData Q105256873