Natural Product: NPC176017

Natural Product ID:  NPC176017
Common Name:   D-Galactose
IUPAC Name:   (3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Synonyms:   D-Galactose
Molecular Formula:   C6H12O6
Standard InCHIKey:  WQZGKKKJIJFFOK-SVZMEOIVSA-N
Standard InCHI:  InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
Canonical SMILES:  OC[C@H]1OC(O)[C@@H]([C@H]([C@H]1O)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 NPC176017 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 NPC176017 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   6036
ChEMBL   CHEMBL195923
ZINC  

Physicochemical Properties

Molecular Weight:  180.06
ALogP:  -2.5134
MLogP:  1.46
XLogP:  -1.697
# Rotatable Bonds:  6
Polar Surface Area:  110.38
# H-Bond Aceptor:  6
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  12

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Similar NPs/Drugs