Natural Product: NPC210531

Natural Product ID:  NPC210531
Common Name:   (+)-Goniofufurone
IUPAC Name:   (2R,3S,3aR,6aR)-3-hydroxy-2-[(R)-hydroxy(phenyl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
Synonyms:   (+)-Goniofufurone
Molecular Formula:   C13H14O5
Standard InCHIKey:  OGSSCWFZICJOMO-ZGYLKHSLSA-N
Standard InCHI:  InChI=1S/C13H14O5/c14-9-6-8-12(18-9)11(16)13(17-8)10(15)7-4-2-1-3-5-7/h1-5,8,10-13,15-16H,6H2/t8-,10-,11-,12+,13-/m1/s1
Canonical SMILES:  O=C1C[C@@H]2[C@H](O1)[C@H]([C@H](O2)[C@@H](c1ccccc1)O)O
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 NPC210531 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 NPC210531 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   11096987
ChEMBL   CHEMBL1171386
ZINC  

Physicochemical Properties

Molecular Weight:  250.08
ALogP:  -1.383
MLogP:  2.34
XLogP:  1.565
# Rotatable Bonds:  4
Polar Surface Area:  75.99
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

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