(1S,2S,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane

Details

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Internal ID c5884dc8-adc2-4818-aaab-844166a717f0
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name (1S,2S,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H22/c1-6-13-10-12(11(3)4)8-9-14(13,5)7-2/h6-7,12-13H,1-3,8-10H2,4-5H3/t12-,13-,14-/m1/s1
InChI Key NMQLKXNABMBXMS-MGPQQGTHSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H22
Molecular Weight 190.32 g/mol
Exact Mass 190.172150702 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 5.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,2S,4R)-1,2-bis(ethenyl)-1-methyl-4-prop-1-en-2-ylcyclohexane

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 96.65% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.40% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.00% 96.09%
CHEMBL206 P03372 Estrogen receptor alpha 85.03% 97.64%
CHEMBL1994 P08235 Mineralocorticoid receptor 84.78% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.74% 97.09%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.03% 82.69%
CHEMBL2061 P19793 Retinoid X receptor alpha 83.46% 91.67%
CHEMBL1902 P62942 FK506-binding protein 1A 83.32% 97.05%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.42% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162862921
LOTUS LTS0221652
wikiData Q105181923