Lophocerine

Details

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Internal ID 99a89bbb-3805-4e23-ad4a-0ec51b3a3dc3
Taxonomy Organoheterocyclic compounds > Tetrahydroisoquinolines
IUPAC Name 6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
SMILES (Canonical) CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)O
SMILES (Isomeric) CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)O
InChI InChI=1S/C15H23NO2/c1-10(2)7-13-12-9-14(17)15(18-4)8-11(12)5-6-16(13)3/h8-10,13,17H,5-7H2,1-4H3
InChI Key GEHUGSUAESFIIV-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H23NO2
Molecular Weight 249.35 g/mol
Exact Mass 249.172878976 g/mol
Topological Polar Surface Area (TPSA) 32.70 Ų
XlogP 3.10

Synonyms

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19485-63-3
C09571
AKOS004902384
6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
1,2,3,4-Tetrahydro-6-methoxy-2-methyl-1-(2-methylpropyl)isoquinolin-7-ol
AC1L9CKZ
CHEBI:6535
DTXSID90331794
Q27107232
1-isobutyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Lophocerine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.35% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.40% 85.14%
CHEMBL2581 P07339 Cathepsin D 95.61% 98.95%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 92.71% 95.89%
CHEMBL253 P34972 Cannabinoid CB2 receptor 92.05% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 90.66% 91.11%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.13% 93.99%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.32% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.23% 95.56%
CHEMBL4208 P20618 Proteasome component C5 86.93% 90.00%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 86.76% 95.34%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.72% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.32% 95.89%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 86.19% 93.40%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.02% 94.45%
CHEMBL2413 P32246 C-C chemokine receptor type 1 84.64% 89.50%
CHEMBL5469 Q14289 Protein tyrosine kinase 2 beta 83.66% 91.03%
CHEMBL2056 P21728 Dopamine D1 receptor 83.24% 91.00%
CHEMBL2535 P11166 Glucose transporter 82.95% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.58% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.57% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 81.78% 92.62%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 81.40% 90.24%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.18% 92.94%

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.
Lophocereus schottii

Cross-Links

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PubChem 442313
LOTUS LTS0204517
wikiData Q27107232