(-)-Sedamine

Details

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Internal ID c033a1d3-cd52-42dc-9fbf-53b5ff377cf0
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines
IUPAC Name (1S)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenylethanol
SMILES (Canonical) CN1CCCCC1CC(C2=CC=CC=C2)O
SMILES (Isomeric) CN1CCCC[C@H]1C[C@@H](C2=CC=CC=C2)O
InChI InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1
InChI Key GOWRYACIDZSIHI-KBPBESRZSA-N
Popularity 17 references in papers

Physical and Chemical Properties

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Molecular Formula C14H21NO
Molecular Weight 219.32 g/mol
Exact Mass 219.162314293 g/mol
Topological Polar Surface Area (TPSA) 23.50 Ų
XlogP 2.40

Synonyms

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497-88-1
C10171
Sedamine
AC1L9D65
SureCN3309738
CHEBI:116
SCHEMBL3309738
(1S)-2-[(2S)-1-methylpiperidin-2-yl]-1-phenylethanol
DTXSID30331894
Q27105245
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (-)-Sedamine

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 98.55% 96.09%
CHEMBL2581 P07339 Cathepsin D 97.85% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 91.85% 90.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.84% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.66% 85.14%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.46% 97.25%
CHEMBL3902 P09211 Glutathione S-transferase Pi 86.20% 93.81%
CHEMBL3359 P21462 Formyl peptide receptor 1 84.94% 93.56%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 83.31% 89.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.35% 95.89%
CHEMBL4040 P28482 MAP kinase ERK2 81.52% 83.82%
CHEMBL5805 Q9NR97 Toll-like receptor 8 81.22% 96.25%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.61% 100.00%
CHEMBL240 Q12809 HERG 80.34% 89.76%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 80.05% 90.71%

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.
Hylotelephium ewersii
Phedimus hybridus
Sedum acre

Cross-Links

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PubChem 442657
LOTUS LTS0216764
wikiData Q27105245