(1S,2E,4S,7E)-1-methyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol

Details

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Internal ID 09efb9af-206d-485f-ad5d-7f027b9c7270
Taxonomy Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
IUPAC Name (1S,2E,4S,7E)-1-methyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
SMILES (Canonical) CC(C)C1CCC=CCCC(C=C1)(C)O
SMILES (Isomeric) CC(C)[C@@H]\1CC/C=C/CC[C@](/C=C1)(C)O
InChI InChI=1S/C14H24O/c1-12(2)13-8-6-4-5-7-10-14(3,15)11-9-13/h4-5,9,11-13,15H,6-8,10H2,1-3H3/b5-4+,11-9+/t13-,14+/m1/s1
InChI Key HLACYKWDKMDHMU-YHUNYKRISA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C14H24O
Molecular Weight 208.34 g/mol
Exact Mass 208.182715385 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,2E,4S,7E)-1-methyl-4-propan-2-ylcyclodeca-2,7-dien-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 97.20% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.03% 96.09%
CHEMBL1937 Q92769 Histone deacetylase 2 91.62% 94.75%
CHEMBL4072 P07858 Cathepsin B 89.86% 93.67%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.68% 91.11%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.71% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.89% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 83.77% 96.77%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.58% 97.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.29% 100.00%
CHEMBL218 P21554 Cannabinoid CB1 receptor 82.80% 96.61%
CHEMBL325 Q13547 Histone deacetylase 1 81.85% 95.92%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.65% 100.00%
CHEMBL2581 P07339 Cathepsin D 80.46% 98.95%

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.
Baccharis latifolia

Cross-Links

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PubChem 11052870
LOTUS LTS0218163
wikiData Q105030050