2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol

Details

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Internal ID f46b2e52-a43e-45fe-bb55-8309ef129754
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecan-11-ol
SMILES (Canonical) CC1CCC2C(CC3(C2(C1CC3)O)C)(C)C
SMILES (Isomeric) CC1CCC2C(CC3(C2(C1CC3)O)C)(C)C
InChI InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9H2,1-4H3
InChI Key ZCRYDCBITZERMT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O
Molecular Weight 222.37 g/mol
Exact Mass 222.198365449 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.90

Synonyms

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CHEMBL1966097
NSC-688234
NCI60_031832

2D Structure

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2D Structure of 2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-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
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.22% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.07% 96.09%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 87.60% 91.03%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.38% 91.11%
CHEMBL218 P21554 Cannabinoid CB1 receptor 84.38% 96.61%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.17% 97.09%
CHEMBL1907601 P11802 Cyclin-dependent kinase 4/cyclin D1 82.55% 98.99%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 82.52% 96.38%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.51% 100.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.03% 92.94%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.30% 95.89%

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.
Callilepis salicifolia
Duhaldea cuspidata

Cross-Links

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PubChem 390632
LOTUS LTS0209435
wikiData Q105371406