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

Details

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Internal ID 6a40c51c-567c-4b2c-8e76-e1678e81551e
Taxonomy Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins
IUPAC Name 3,4,11,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-5-ol
SMILES (Canonical) CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC)OCO4)OC)OC)OC)O
SMILES (Isomeric) CC1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1C)OC)OCO4)OC)OC)OC)O
InChI InChI=1S/C23H28O7/c1-11-7-13-8-15(24)20(26-4)22(27-5)17(13)18-14(19(25-3)12(11)2)9-16-21(23(18)28-6)30-10-29-16/h8-9,11-12,19,24H,7,10H2,1-6H3
InChI Key WYKCWLMVRLFACA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H28O7
Molecular Weight 416.50 g/mol
Exact Mass 416.18350323 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,4,11,19-Tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.19% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.91% 96.09%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 93.13% 91.79%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.26% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 90.04% 96.77%
CHEMBL261 P00915 Carbonic anhydrase I 89.66% 96.76%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 88.59% 82.67%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 88.24% 92.62%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 87.82% 80.96%
CHEMBL217 P14416 Dopamine D2 receptor 87.79% 95.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.06% 86.33%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.73% 85.14%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 83.25% 94.80%
CHEMBL1951 P21397 Monoamine oxidase A 82.78% 91.49%
CHEMBL2535 P11166 Glucose transporter 82.30% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.23% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.15% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.89% 97.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.71% 92.94%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.53% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.33% 95.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.79% 89.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.66% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.64% 99.15%

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 lancifolia
Schisandra rubriflora

Cross-Links

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PubChem 75149524
LOTUS LTS0176874
wikiData Q105322341