4,9,13,18-Tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),10,13-trien-9-ol

Details

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Internal ID 248921f5-335d-40f9-b6ca-f995daa0c95b
Taxonomy Organoheterocyclic compounds > Dihydrofurans
IUPAC Name 4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),10,13-trien-9-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H30O3/c1-14-6-5-9-19(3,21)10-8-18-20(4,23-18)11-7-16-15(2)13-22-17(16)12-14/h5,9,12,17-18,21H,6-8,10-11,13H2,1-4H3
InChI Key ABXZFOZVZWDICN-UHFFFAOYSA-N
Popularity 0 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 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,9,13,18-Tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),10,13-trien-9-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.60% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.78% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.22% 91.11%
CHEMBL2581 P07339 Cathepsin D 85.44% 98.95%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.34% 93.40%
CHEMBL1871 P10275 Androgen Receptor 84.60% 96.43%
CHEMBL4072 P07858 Cathepsin B 84.30% 93.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.06% 95.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.70% 93.99%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 83.41% 85.14%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.42% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.67% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.55% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.14% 86.33%

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 74051787
LOTUS LTS0072809
wikiData Q104908923