10-hydroxy-6,10,11-trimethyl-3-methylidene-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one

Details

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Internal ID fbe79df4-e127-41d3-b6b4-744018eaa4da
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives
IUPAC Name 10-hydroxy-6,10,11-trimethyl-3-methylidene-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
SMILES (Canonical) CC1C2C(CCC(=CCCC1(C)O)C)C(=C)C(=O)O2
SMILES (Isomeric) CC1C2C(CCC(=CCCC1(C)O)C)C(=C)C(=O)O2
InChI InChI=1S/C16H24O3/c1-10-6-5-9-16(4,18)12(3)14-13(8-7-10)11(2)15(17)19-14/h6,12-14,18H,2,5,7-9H2,1,3-4H3
InChI Key BUQLXKSONWUQAC-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H24O3
Molecular Weight 264.36 g/mol
Exact Mass 264.17254462 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-hydroxy-6,10,11-trimethyl-3-methylidene-4,5,8,9,11,11a-hexahydro-3aH-cyclodeca[b]furan-2-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.51% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.86% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.97% 95.56%
CHEMBL1994 P08235 Mineralocorticoid receptor 88.02% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.91% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.30% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.73% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.31% 89.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 82.26% 93.03%
CHEMBL2581 P07339 Cathepsin D 82.20% 98.95%
CHEMBL1951 P21397 Monoamine oxidase A 80.37% 91.49%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.03% 96.61%

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.
Tanacetum vulgare

Cross-Links

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PubChem 163011956
LOTUS LTS0099107
wikiData Q104946254