Cyclohexane, 1-methyl-3-(1-methylethyl)-, cis-

Details

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Internal ID 97b23242-2756-43a3-b495-0cd9b741e79e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids
IUPAC Name (1S,3R)-1-methyl-3-propan-2-ylcyclohexane
SMILES (Canonical) CC1CCCC(C1)C(C)C
SMILES (Isomeric) C[C@H]1CCC[C@H](C1)C(C)C
InChI InChI=1S/C10H20/c1-8(2)10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChI Key QRDCBPPMQOPHOU-VHSXEESVSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C10H20
Molecular Weight 140.27 g/mol
Exact Mass 140.156500638 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.50

Synonyms

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13837-66-6
(1S,3R)-1-methyl-3-propan-2-ylcyclohexane
m-menthane
cis-m-menthan
QRDCBPPMQOPHOU-VHSXEESVSA-N
(-)-1-methyl-3-(1-methylethyl)cyclohexane
Cyclohexane, 1-methyl-3-(1-methylethyl)-, cis

2D Structure

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2D Structure of Cyclohexane, 1-methyl-3-(1-methylethyl)-, cis-

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
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 91.63% 95.58%
CHEMBL5203 P33316 dUTP pyrophosphatase 91.56% 99.18%
CHEMBL253 P34972 Cannabinoid CB2 receptor 91.54% 97.25%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 91.33% 97.23%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.11% 96.09%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 87.12% 96.38%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.09% 97.09%
CHEMBL4660 P28907 Lymphocyte differentiation antigen CD38 85.30% 95.27%
CHEMBL1907598 P05106 Integrin alpha-V/beta-3 82.51% 95.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.40% 95.89%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 80.14% 86.00%

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.
Juniperus communis

Cross-Links

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PubChem 13117023
LOTUS LTS0136130
wikiData Q105226209