4,11,11-Trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol

Details

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Internal ID a47acff2-1ee6-40b7-86db-37fc947829bb
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H26O2/c1-10-5-6-13(16)15(4,17)8-7-12-11(10)9-14(12,2)3/h11-13,16-17H,1,5-9H2,2-4H3
InChI Key XZTGVWRBZDBQLP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H26O2
Molecular Weight 238.37 g/mol
Exact Mass 238.193280068 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,11,11-Trimethyl-8-methylidenebicyclo[7.2.0]undecane-4,5-diol

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 96.28% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 92.46% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.10% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.27% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 89.78% 92.94%
CHEMBL1871 P10275 Androgen Receptor 87.00% 96.43%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.96% 97.09%
CHEMBL221 P23219 Cyclooxygenase-1 86.62% 90.17%
CHEMBL259 P32245 Melanocortin receptor 4 85.13% 95.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.22% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 83.31% 95.93%

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.
Sindora sumatrana

Cross-Links

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PubChem 85145095
LOTUS LTS0083899
wikiData Q105345162