2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol

Details

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Internal ID 39f6a9e2-516d-44bd-b8f6-5f81040e9787
Taxonomy Benzenoids > Tetralins
IUPAC Name 2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
SMILES (Canonical) CC1=C(C2=C(CC(CC2)C(C)(C)O)C=C1)C
SMILES (Isomeric) CC1=C(C2=C(C[C@@H](CC2)C(C)(C)O)C=C1)C
InChI InChI=1S/C15H22O/c1-10-5-6-12-9-13(15(3,4)16)7-8-14(12)11(10)2/h5-6,13,16H,7-9H2,1-4H3/t13-/m1/s1
InChI Key PVLXCCNONOJBBX-CYBMUJFWSA-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 3.50

Synonyms

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87797-89-5
(2R)-1,2,3,4-Tetrahydro-alpha,alpha,5,6-tetramethyl-2-naphthalenemethanol

2D Structure

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2D Structure of 2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-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
CHEMBL1951 P21397 Monoamine oxidase A 94.53% 91.49%
CHEMBL2581 P07339 Cathepsin D 93.67% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.32% 91.11%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.98% 93.56%
CHEMBL217 P14416 Dopamine D2 receptor 89.71% 95.62%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 87.42% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.38% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.03% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 84.49% 97.09%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 83.12% 93.04%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.85% 93.40%
CHEMBL3238 P23786 Carnitine palmitoyltransferase 2 82.66% 94.05%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.24% 97.25%
CHEMBL2073 P07947 Tyrosine-protein kinase YES 81.58% 83.14%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.93% 100.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 80.04% 100.00%
CHEMBL2535 P11166 Glucose transporter 80.01% 98.75%

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.
Nicotiana rustica
Nicotiana undulata

Cross-Links

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PubChem 15601435
LOTUS LTS0192779
wikiData Q105215510