Natural Product: NPC163290

Natural Product ID:  NPC163290
Common Name:   (1R,2R,5R,6R,10S)-10-Isopropyl-7-Methyl-3-Methylenecyclodec-7-Ene-1,2,5,6-Tetraol
IUPAC Name:   (1R,2R,5R,6R,7Z,10S)-7-methyl-3-methylidene-10-propan-2-ylcyclodec-7-ene-1,2,5,6-tetrol
Synonyms:  
Molecular Formula:   C15H26O4
Standard InCHIKey:  PTFYPQCJYOKIDY-BUMDVPOKSA-N
Standard InCHI:  InChI=1S/C15H26O4/c1-8(2)11-6-5-9(3)13(17)12(16)7-10(4)14(18)15(11)19/h5,8,11-19H,4,6-7H2,1-3H3/b9-5-/t11-,12+,13+,14+,15+/m0/s1
Canonical SMILES:  CC([C@@H]1C/C=C(/C)[C@@H](O)[C@@H](CC(=C)[C@H]([C@@H]1O)O)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

  Biological Activity

  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 NPC163290 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC163290 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

This browser does not support HTML5/Canvas.

External Identifiers

PubChem CID   44583979
ChEMBL   CHEMBL457808
ZINC  

Physicochemical Properties

Molecular Weight:  270.18
ALogP:  -0.2251
MLogP:  2.67
XLogP:  0.939
# Rotatable Bonds:  8
Polar Surface Area:  80.92
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  19

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs