(1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-one

Details

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Internal ID 828e7d67-c137-4f02-a5cb-160db121102f
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Triquinane sesquiterpenoids > Angular triquinanes
IUPAC Name (1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-one
SMILES (Canonical) CC1CCC2(C13CCCC3(C(=O)C2C)C)C
SMILES (Isomeric) C[C@H]1CC[C@]2([C@@]13CCC[C@@]3(C(=O)[C@@H]2C)C)C
InChI InChI=1S/C15H24O/c1-10-6-9-13(3)11(2)12(16)14(4)7-5-8-15(10,13)14/h10-11H,5-9H2,1-4H3/t10-,11-,13+,14+,15+/m0/s1
InChI Key QPSMCUKAUIKAPQ-ULQWKZLWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O
Molecular Weight 220.35 g/mol
Exact Mass 220.182715385 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 4.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,5S,7R,8R,11S)-5,7,8,11-tetramethyltricyclo[6.3.0.01,5]undecan-6-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 92.90% 97.25%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 91.77% 82.69%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.50% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.22% 91.11%
CHEMBL1937 Q92769 Histone deacetylase 2 85.04% 94.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.94% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.05% 100.00%
CHEMBL2581 P07339 Cathepsin D 84.04% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.54% 96.09%
CHEMBL1902 P62942 FK506-binding protein 1A 83.33% 97.05%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 83.03% 93.04%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 82.87% 96.77%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.31% 92.94%
CHEMBL5255 O00206 Toll-like receptor 4 81.27% 92.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.33% 94.45%

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.
Helichrysum nudifolium

Cross-Links

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PubChem 162970684
LOTUS LTS0211822
wikiData Q105225586