7-Hepta-3,5-dienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol

Details

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Internal ID c547b2b1-b5a5-4bca-b664-ca0d54af9f2c
Taxonomy Organoheterocyclic compounds > Furopyrans
IUPAC Name 7-hepta-3,5-dienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-4-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22O4/c1-2-3-4-5-6-8-15-13-12(7-9-18-15)17-10-14(13,16)11-19-15/h2-5,12-13,16H,6-11H2,1H3
InChI Key FWYBDFAUXLZJHK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O4
Molecular Weight 266.33 g/mol
Exact Mass 266.15180918 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 1.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Hepta-3,5-dienyl-2,6,8-trioxatricyclo[5.3.1.04,11]undecan-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
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 93.58% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.55% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.67% 97.09%
CHEMBL226 P30542 Adenosine A1 receptor 90.26% 95.93%
CHEMBL253 P34972 Cannabinoid CB2 receptor 85.60% 97.25%
CHEMBL4005 P42336 PI3-kinase p110-alpha subunit 84.36% 97.47%
CHEMBL3837 P07711 Cathepsin L 82.90% 96.61%
CHEMBL241 Q14432 Phosphodiesterase 3A 81.13% 92.94%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 80.89% 95.50%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.62% 92.88%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.15% 94.45%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.05% 100.00%

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 162814869
LOTUS LTS0019423
wikiData Q104166867