2-(1,5,10-Trimethyl-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadec-14-en-14-yl)propan-2-ol

Details

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Internal ID d66b653b-f408-427f-933e-d8152e85f3fb
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name 2-(1,5,10-trimethyl-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadec-14-en-14-yl)propan-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H32O3/c1-17(2,21)13-6-9-18(3)12-16-20(5,23-16)11-8-15-19(4,22-15)10-7-14(13)18/h6,14-16,21H,7-12H2,1-5H3
InChI Key AOIMAYBIPUIYPH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H32O3
Molecular Weight 320.50 g/mol
Exact Mass 320.23514488 g/mol
Topological Polar Surface Area (TPSA) 45.30 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(1,5,10-Trimethyl-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadec-14-en-14-yl)propan-2-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 98.99% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.18% 96.09%
CHEMBL218 P21554 Cannabinoid CB1 receptor 93.56% 96.61%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.73% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.40% 97.09%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 86.88% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.03% 95.89%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.85% 86.33%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.63% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 84.43% 97.14%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 84.06% 93.04%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 84.01% 94.78%
CHEMBL2581 P07339 Cathepsin D 80.80% 98.95%
CHEMBL5600 P27448 Serine/threonine-protein kinase c-TAK1 80.78% 88.81%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 80.70% 91.03%

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 14610788
LOTUS LTS0215694
wikiData Q104915701