Natural Product: NPC133178

Natural Product ID:  NPC133178
Common Name:   2,2,6,6-Tetramethylpiperidin-4-One
IUPAC Name:   2,2,6,6-tetramethylpiperidin-4-one
Synonyms:  
Molecular Formula:   C9H17NO
Standard InCHIKey:  JWUXJYZVKZKLTJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3
Canonical SMILES:  O=C1CC(C)(C)NC(C1)(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO18030 Herba acalyphae NA NA NA TCMID*
NPO16987 Vinca erecta Species Apocynaceae Eukaryota TCMID*
NPO5881 Catharanthus roseus Species Apocynaceae Eukaryota TCMID*
NPO27740 Alcantara ekmaniana NA NA NA UNPD*
NPO27191 Schistochila appendiculata Species Schistochilaceae Eukaryota UNPD*
NPO16500 Byssochlamys spectabilis Species Thermoascaceae Eukaryota UNPD*
NPO27773 Rhododendron ovatum Species Ericaceae Eukaryota UNPD*
NPO20208 Rhinogobius brunneus Species Gobiidae Eukaryota UNPD*
NPO27072 Monochaetum vulcanicum Species Melastomataceae Eukaryota UNPD*
NPO27648 Cereus aethiops Species Cactaceae Eukaryota UNPD*
NPO27569 Archangelica officinalis Species Apiaceae Eukaryota UNPD*
NPO27688 Aeonium goochiae Species Crassulaceae Eukaryota UNPD*
NPO27012 Laurencia pannosa Species Rhodomelaceae Eukaryota UNPD*
NPO27707 Soja hispida Species Fabaceae Eukaryota UNPD*
NPO22488 Leptosphaeria oraemaris Species Leptosphaeriaceae Eukaryota UNPD*
NPO27262 Dryopteris inaequalis Species Dryopteridaceae Eukaryota UNPD*
NPO11140 Coprinopsis cinerea Species Psathyrellaceae Eukaryota UNPD*
NPO27725 Artemisia vestita Species Asteraceae Eukaryota UNPD*
NPO26895 Baccharis bigelovii Species Asteraceae Eukaryota UNPD*
NPO7497 Guatteria blepharophylla Species Annonaceae Eukaryota UNPD*
NPO17223 Agelas oroides Species Agelasidae Eukaryota UNPD*
NPO27323 Cestrum nocturnum Species Solanaceae Eukaryota UNPD*
NPO29643 Mume fructus NA NA NA TCMSP*
NPO236 Sojae semen nigrum NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Potency 3861.9 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 12.2 nM PubChem BioAssay data set
NPT2 Others Unspecified Potency 433.3 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC133178 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.614 Remote Similarity NPC248956
0.5882 Remote Similarity NPC167301
0.587 Remote Similarity NPC321646
0.566 Remote Similarity NPC15231

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC133178 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.619 Remote Similarity NPD1146 Phase 2
0.6034 Remote Similarity NPD9668 Phase 2
0.5686 Remote Similarity NPD635 Phase 3
0.5686 Remote Similarity NPD636 Phase 3

Structure

External Identifiers

PubChem CID   13220
ChEMBL   CHEMBL117614
ZINC  

Physicochemical Properties

Molecular Weight:  155.13
ALogP:  0.5736
MLogP:  2.23
XLogP:  1.003
# Rotatable Bonds:  4
Polar Surface Area:  29.1
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  11

Download Data

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Biological Activities  
Similar NPs/Drugs