(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide

Details

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Internal ID d88fe094-7647-407e-9230-778ebfc716fe
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxamides and derivatives
IUPAC Name (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H24N2O2/c1-11(2)5-4-8-17(3,21)15-10-13-9-12(16(18)20)6-7-14(13)19-15/h5-7,9,15,19,21H,4,8,10H2,1-3H3,(H2,18,20)/t15-,17+/m1/s1
InChI Key ODYCYXKNGGGAMF-WBVHZDCISA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H24N2O2
Molecular Weight 288.40 g/mol
Exact Mass 288.183778013 g/mol
Topological Polar Surface Area (TPSA) 75.40 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.77% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.10% 96.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 94.86% 97.25%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 94.49% 96.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.08% 97.09%
CHEMBL2581 P07339 Cathepsin D 93.70% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.26% 86.33%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 93.04% 89.34%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 91.93% 97.21%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.61% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.69% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.63% 99.17%
CHEMBL236 P41143 Delta opioid receptor 87.02% 99.35%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.84% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 85.49% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.24% 95.56%
CHEMBL4208 P20618 Proteasome component C5 84.89% 90.00%
CHEMBL3437 Q16853 Amine oxidase, copper containing 84.68% 94.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.50% 92.94%
CHEMBL4581 P52732 Kinesin-like protein 1 82.07% 93.18%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.69% 90.71%

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 10016993
LOTUS LTS0082524
wikiData Q105190103