1-Methyl-2-methylenecyclohexane

Details

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Internal ID 302f26ab-2bfb-40a3-8a68-947c689bda8f
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Branched unsaturated hydrocarbons
IUPAC Name 1-methyl-2-methylidenecyclohexane
SMILES (Canonical) CC1CCCCC1=C
SMILES (Isomeric) CC1CCCCC1=C
InChI InChI=1S/C8H14/c1-7-5-3-4-6-8(7)2/h8H,1,3-6H2,2H3
InChI Key QJXCDRBHYIAFTH-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C8H14
Molecular Weight 110.20 g/mol
Exact Mass 110.109550447 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 2.90

Synonyms

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2808-75-5
2-Methyl-methylenecyclohexane
1-methyl-2-methylidenecyclohexane
1-Methylene-2-methylcyclohexane
DTXSID90950803
QJXCDRBHYIAFTH-UHFFFAOYSA-N
AKOS006273222
FT-0729966

2D Structure

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2D Structure of 1-Methyl-2-methylenecyclohexane

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 90.96% 97.25%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.27% 97.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.65% 92.94%
CHEMBL2581 P07339 Cathepsin D 83.75% 98.95%
CHEMBL5203 P33316 dUTP pyrophosphatase 80.57% 99.18%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.01% 96.09%

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.
Ferula ovina

Cross-Links

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PubChem 137725
LOTUS LTS0210545
wikiData Q82928963