7,11,14,15-Tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol

Details

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Internal ID 94707d72-99ff-46dd-a8b0-b33e3080dcd2
Taxonomy Organoheterocyclic compounds > Dihydrofurans
IUPAC Name 7,11,14,15-tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H30O3/c1-13-6-5-10-19(4)17(23-19)20(21)15-8-7-14(2)18(3,11-9-13)16(15)12-22-20/h6,14,17,21H,5,7-12H2,1-4H3
InChI Key OGWUAOXLICPHRC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C20H30O3
Molecular Weight 318.40 g/mol
Exact Mass 318.21949481 g/mol
Topological Polar Surface Area (TPSA) 42.00 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7,11,14,15-Tetramethyl-3,6-dioxatetracyclo[12.4.0.04,18.05,7]octadeca-1(18),10-dien-4-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
CHEMBL250 P25105 Platelet activating factor receptor 575.44 nM
575.44 nM
IC50
IC50
via Super-PRED
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.97% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.83% 91.11%
CHEMBL1994 P08235 Mineralocorticoid receptor 91.58% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 90.40% 92.94%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.30% 97.09%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 84.52% 86.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.48% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.91% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.73% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.43% 86.33%
CHEMBL1871 P10275 Androgen Receptor 82.39% 96.43%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.17% 94.45%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.94% 96.61%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.94% 97.14%
CHEMBL2581 P07339 Cathepsin D 80.88% 98.95%
CHEMBL1902 P62942 FK506-binding protein 1A 80.62% 97.05%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 73033270
LOTUS LTS0022176
wikiData Q104193354