4,5-Dihydroxy-1-piperidin-1-yldec-2-en-1-one

Details

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Internal ID a6e11997-bad8-4b1c-bce0-541ee2599cf1
Taxonomy Organoheterocyclic compounds > Piperidines > N-acylpiperidines
IUPAC Name 4,5-dihydroxy-1-piperidin-1-yldec-2-en-1-one
SMILES (Canonical) CCCCCC(C(C=CC(=O)N1CCCCC1)O)O
SMILES (Isomeric) CCCCCC(C(C=CC(=O)N1CCCCC1)O)O
InChI InChI=1S/C15H27NO3/c1-2-3-5-8-13(17)14(18)9-10-15(19)16-11-6-4-7-12-16/h9-10,13-14,17-18H,2-8,11-12H2,1H3
InChI Key BFKPVZSEVYPLTK-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H27NO3
Molecular Weight 269.38 g/mol
Exact Mass 269.19909372 g/mol
Topological Polar Surface Area (TPSA) 60.80 Ų
XlogP 1.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,5-Dihydroxy-1-piperidin-1-yldec-2-en-1-one

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
CHEMBL2581 P07339 Cathepsin D 98.40% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.97% 96.09%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 94.00% 91.81%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 93.58% 92.86%
CHEMBL230 P35354 Cyclooxygenase-2 91.63% 89.63%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 90.28% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 90.23% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.80% 93.56%
CHEMBL3105 P09874 Poly [ADP-ribose] polymerase-1 89.80% 93.90%
CHEMBL253 P34972 Cannabinoid CB2 receptor 88.63% 97.25%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 86.35% 90.71%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 85.51% 98.33%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 85.36% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.13% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 83.07% 97.29%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 82.55% 94.33%
CHEMBL4187 Q99250 Sodium channel protein type II alpha subunit 81.80% 95.50%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 81.14% 96.25%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.99% 96.47%

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.
Piper nigrum

Cross-Links

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PubChem 85416577
LOTUS LTS0031490
wikiData Q104934336