1,5,9-Trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene

Details

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Internal ID cf632323-9207-4d21-ad60-8e4710850d18
Taxonomy Organoheterocyclic compounds > Epoxides
IUPAC Name 1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32O/c1-14(2)16-10-12-19(4)13-18-20(5,21-18)11-6-7-15(3)8-9-17(16)19/h7,16-18H,1,6,8-13H2,2-5H3
InChI Key DAWVJYSOOMMDRV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O
Molecular Weight 288.50 g/mol
Exact Mass 288.245315640 g/mol
Topological Polar Surface Area (TPSA) 12.50 Ų
XlogP 5.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1,5,9-Trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-ene

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
CHEMBL218 P21554 Cannabinoid CB1 receptor 95.89% 96.61%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.27% 91.11%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.26% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 90.63% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.76% 92.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.45% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 88.85% 89.63%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.47% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.35% 97.09%
CHEMBL221 P23219 Cyclooxygenase-1 84.77% 90.17%
CHEMBL259 P32245 Melanocortin receptor 4 83.17% 95.38%
CHEMBL1951 P21397 Monoamine oxidase A 83.01% 91.49%
CHEMBL1871 P10275 Androgen Receptor 82.85% 96.43%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.60% 95.89%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.16% 89.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.05% 95.56%

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 74028315
LOTUS LTS0217162
wikiData Q104974070