p-Mentha-3-en-1,2-diol

Details

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Internal ID e83e19ee-34db-415f-a111-cb1f99066f62
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Menthane monoterpenoids
IUPAC Name 1-methyl-4-propan-2-ylcyclohex-3-ene-1,2-diol
SMILES (Canonical) CC(C)C1=CC(C(CC1)(C)O)O
SMILES (Isomeric) CC(C)C1=CC(C(CC1)(C)O)O
InChI InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h6-7,9,11-12H,4-5H2,1-3H3
InChI Key QQMJLNCENDJRCL-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C10H18O2
Molecular Weight 170.25 g/mol
Exact Mass 170.130679813 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 0.90

Synonyms

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SCHEMBL12501490

2D Structure

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2D Structure of p-Mentha-3-en-1,2-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.02% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 93.97% 90.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.06% 91.11%
CHEMBL2581 P07339 Cathepsin D 92.72% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.87% 94.45%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.38% 97.25%
CHEMBL1994 P08235 Mineralocorticoid receptor 82.49% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.07% 95.89%

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.
Alpinia oxyphylla
Dysphania ambrosioides

Cross-Links

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PubChem 14262890
LOTUS LTS0182332
wikiData Q105225928