2-(4-Methylcyclohexyl)prop-2-en-1-ol

Details

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Internal ID 774a512a-f034-4d1b-8d67-b924cf7e4e58
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name 2-(4-methylcyclohexyl)prop-2-en-1-ol
SMILES (Canonical) CC1CCC(CC1)C(=C)CO
SMILES (Isomeric) CC1CCC(CC1)C(=C)CO
InChI InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h8,10-11H,2-7H2,1H3
InChI Key RYBQTIMCBUUSQQ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O
Molecular Weight 154.25 g/mol
Exact Mass 154.135765193 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.20

Synonyms

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(1alpha,4alpha)-p-Menth-8(10)-en-9-ol
(1alpha,4beta)-p-Menth-8(10)-en-9-ol
15714-12-2
15714-13-3
p-Menth-8(10)-en-9-ol
p-Menth-8(10)-en-9-ol, trans-
p-Menth-8(10)-en-9-ol, cis-
Cyclohexaneethanol, 4-methyl-.beta.-methylene-
5502-99-8
SCHEMBL9539706
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-(4-Methylcyclohexyl)prop-2-en-1-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 94.52% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.45% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 86.57% 83.82%
CHEMBL206 P03372 Estrogen receptor alpha 85.98% 97.64%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.65% 91.11%
CHEMBL226 P30542 Adenosine A1 receptor 84.83% 95.93%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.62% 97.09%
CHEMBL4072 P07858 Cathepsin B 81.48% 93.67%

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.
Vaccinium corymbosum

Cross-Links

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PubChem 543946
LOTUS LTS0125247
wikiData Q105247447