2,2,6-Trimethyl-8-methylidenetricyclo[5.2.2.01,6]undecan-9-ol

Details

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Internal ID ead18c57-5c1c-4331-89c5-e413195916b2
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name 2,2,6-trimethyl-8-methylidenetricyclo[5.2.2.01,6]undecan-9-ol
SMILES (Canonical) CC1(CCCC2(C13CCC2C(=C)C3O)C)C
SMILES (Isomeric) CC1(CCCC2(C13CCC2C(=C)C3O)C)C
InChI InChI=1S/C15H24O/c1-10-11-6-9-15(12(10)16)13(2,3)7-5-8-14(11,15)4/h11-12,16H,1,5-9H2,2-4H3
InChI Key CDFNWOUSIGULGW-UHFFFAOYSA-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) 20.20 Ų
XlogP 3.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,2,6-Trimethyl-8-methylidenetricyclo[5.2.2.01,6]undecan-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 93.34% 96.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 92.63% 82.69%
CHEMBL1937 Q92769 Histone deacetylase 2 90.20% 94.75%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.67% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 89.39% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.34% 91.11%
CHEMBL2581 P07339 Cathepsin D 87.15% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.16% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 86.07% 90.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.35% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.70% 92.94%
CHEMBL1951 P21397 Monoamine oxidase A 83.65% 91.49%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.61% 93.03%
CHEMBL226 P30542 Adenosine A1 receptor 83.14% 95.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.62% 97.09%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.19% 94.78%

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.
Bazzania trilobata

Cross-Links

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PubChem 162969257
LOTUS LTS0200404
wikiData Q104954387