13-Hydroxy-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradec-1(14)-en-5-one

Details

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Internal ID eb103321-f9db-4a46-979e-78f6415f2f74
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives
IUPAC Name 13-hydroxy-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradec-1(14)-en-5-one
SMILES (Canonical) CC1=C2CC3C(CC2(C4C(C1O)O4)C)OC(=O)C3=C
SMILES (Isomeric) CC1=C2CC3C(CC2(C4C(C1O)O4)C)OC(=O)C3=C
InChI InChI=1S/C15H18O4/c1-6-8-4-9-7(2)11(16)12-13(19-12)15(9,3)5-10(8)18-14(6)17/h8,10-13,16H,1,4-5H2,2-3H3
InChI Key LKBAEKUFVUNFDW-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H18O4
Molecular Weight 262.30 g/mol
Exact Mass 262.12050905 g/mol
Topological Polar Surface Area (TPSA) 59.10 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 13-Hydroxy-9,14-dimethyl-4-methylidene-6,11-dioxatetracyclo[7.5.0.03,7.010,12]tetradec-1(14)-en-5-one

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.95% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 93.59% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.07% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.47% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.54% 94.45%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.51% 99.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.51% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.75% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 81.95% 94.73%
CHEMBL2581 P07339 Cathepsin D 81.38% 98.95%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 80.95% 96.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.61% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.61% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.06% 89.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Ferreyranthus fruticosus

Cross-Links

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PubChem 14021285
LOTUS LTS0228243
wikiData Q105152942