2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undecane-3,9,10-triol

Details

Top
Internal ID 43886918-ca9c-402c-ad0c-9b6c52822faf
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name 2,2,6,8-tetramethyltricyclo[5.3.1.03,8]undecane-3,9,10-triol
SMILES (Canonical) CC1CCC2(C(C3CC1C2(C(C3O)O)C)(C)C)O
SMILES (Isomeric) CC1CCC2(C(C3CC1C2(C(C3O)O)C)(C)C)O
InChI InChI=1S/C15H26O3/c1-8-5-6-15(18)13(2,3)10-7-9(8)14(15,4)12(17)11(10)16/h8-12,16-18H,5-7H2,1-4H3
InChI Key OGLPQGWESBEIDG-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C15H26O3
Molecular Weight 254.36 g/mol
Exact Mass 254.18819469 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 1.70

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of 2,2,6,8-Tetramethyltricyclo[5.3.1.03,8]undecane-3,9,10-triol

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 97.38% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.87% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 89.37% 95.93%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.20% 91.11%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 87.10% 82.69%
CHEMBL1994 P08235 Mineralocorticoid receptor 87.05% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.70% 97.09%
CHEMBL1871 P10275 Androgen Receptor 84.67% 96.43%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.36% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.39% 95.89%
CHEMBL1902 P62942 FK506-binding protein 1A 81.14% 97.05%
CHEMBL2581 P07339 Cathepsin D 80.01% 98.95%

Plants that contains it

Top
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.
Pogostemon cablin

Cross-Links

Top
PubChem 162856870
LOTUS LTS0221221
wikiData Q105191695