Natural Product: NPC327103

Natural Product ID:  NPC327103
Common Name:   4-Hydroxy-2,3-Dimethyl-2H-Furan-5-One
IUPAC Name:   4-hydroxy-2,3-dimethyl-2H-furan-5-one
Synonyms:  
Molecular Formula:   C6H8O3
Standard InCHIKey:  UNYNVICDCJHOPO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3
Canonical SMILES:  CC1OC(=O)C(=C1C)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 NPC327103 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 NPC327103 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Structure

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External Identifiers

PubChem CID   62835
ChEMBL   CHEMBL3185688
ZINC  

Physicochemical Properties

Molecular Weight:  128.05
ALogP:  0.2609
MLogP:  1.79
XLogP:  1.033
# Rotatable Bonds:  3
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  9

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Similar NPs/Drugs