11-Hydroxy-5,9,14-trimethyl-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-4-one

Details

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Internal ID 5c41ec87-c3a8-46d4-9ad9-f4d222143629
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives
IUPAC Name 11-hydroxy-5,9,14-trimethyl-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H20O4/c1-6-4-5-8-7(2)14(17)18-12(8)10-9(6)11(16)13-15(10,3)19-13/h7-8,10-13,16H,4-5H2,1-3H3
InChI Key CIAQFCCSDNTKFU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H20O4
Molecular Weight 264.32 g/mol
Exact Mass 264.13615911 g/mol
Topological Polar Surface Area (TPSA) 59.10 Ų
XlogP 0.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 11-Hydroxy-5,9,14-trimethyl-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-4-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
CHEMBL4040 P28482 MAP kinase ERK2 95.53% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.72% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.64% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.04% 100.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.00% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.02% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.76% 99.23%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.69% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 83.71% 97.25%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.65% 93.40%
CHEMBL1871 P10275 Androgen Receptor 81.94% 96.43%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 81.62% 94.78%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.76% 93.04%

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.
Kaunia lasiophthalma

Cross-Links

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PubChem 14589146
LOTUS LTS0023621
wikiData Q104959530