(1S,2R,8aS)-4,6-dimethyl-1-propan-2-yl-1,2,8,8a-tetrahydronaphthalen-2-ol

Details

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Internal ID 0b142e8a-fcb9-43a7-95e2-3c5d54057ba5
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
IUPAC Name (1S,2R,8aS)-4,6-dimethyl-1-propan-2-yl-1,2,8,8a-tetrahydronaphthalen-2-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H22O/c1-9(2)15-12-6-5-10(3)7-13(12)11(4)8-14(15)16/h5,7-9,12,14-16H,6H2,1-4H3/t12-,14+,15+/m1/s1
InChI Key NWUMKWIRTFTXBF-SNPRPXQTSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H22O
Molecular Weight 218.33 g/mol
Exact Mass 218.167065321 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1S,2R,8aS)-4,6-dimethyl-1-propan-2-yl-1,2,8,8a-tetrahydronaphthalen-2-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 94.20% 97.25%
CHEMBL2581 P07339 Cathepsin D 92.47% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.52% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.86% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 85.49% 90.17%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.20% 89.62%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 83.44% 86.00%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 83.09% 97.23%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.75% 93.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.10% 97.09%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 82.04% 85.94%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 81.95% 90.71%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.70% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.18% 95.89%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.15% 96.47%
CHEMBL218 P21554 Cannabinoid CB1 receptor 80.07% 96.61%

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.
Heterotheca inuloides

Cross-Links

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PubChem 163007434
LOTUS LTS0022669
wikiData Q105186819