(4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-2,4a,5,8-tetrahydro-1H-naphthalene

Details

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Internal ID eec979a6-4cdd-45c5-94b0-9d78c849f58d
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name (4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-2,4a,5,8-tetrahydro-1H-naphthalene
SMILES (Canonical) CC1=CCCC2(C1CC(=CC2)C(C)C)C
SMILES (Isomeric) CC1=CCC[C@]2([C@H]1CC(=CC2)C(C)C)C
InChI InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h6-7,11,14H,5,8-10H2,1-4H3/t14-,15+/m0/s1
InChI Key SWCOCRTVQQHGKB-LSDHHAIUSA-N
Popularity 0 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 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (4aR,8aR)-4,8a-dimethyl-6-propan-2-yl-2,4a,5,8-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 94.68% 97.25%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.59% 96.09%
CHEMBL3359 P21462 Formyl peptide receptor 1 88.21% 93.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.65% 91.11%
CHEMBL221 P23219 Cyclooxygenase-1 87.16% 90.17%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.86% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.67% 94.45%
CHEMBL2581 P07339 Cathepsin D 84.27% 98.95%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 82.33% 93.04%
CHEMBL2996 Q05655 Protein kinase C delta 82.28% 97.79%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 81.70% 86.00%
CHEMBL1937 Q92769 Histone deacetylase 2 80.01% 94.75%

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 20837792
LOTUS LTS0214962
wikiData Q105262583