(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

Details

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Internal ID d7852aa1-61a3-4220-9714-7279c2be242e
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,10-12H,5-6,8-9H2,1-4H3/t12-,15+/m1/s1
InChI Key OEJAHQZWKNWZRZ-DOMZBBRYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24
Molecular Weight 204.35 g/mol
Exact Mass 204.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5-tetrahydro-1H-naphthalene

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 97.60% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.95% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.99% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 88.86% 97.09%
CHEMBL221 P23219 Cyclooxygenase-1 88.18% 90.17%
CHEMBL1937 Q92769 Histone deacetylase 2 87.73% 94.75%
CHEMBL2581 P07339 Cathepsin D 87.35% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.37% 95.89%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 82.71% 86.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.30% 95.56%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 81.76% 91.03%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.40% 100.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 80.90% 96.77%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.86% 94.45%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 6428387
LOTUS LTS0129281
wikiData Q105190315