Natural Product: NPC161593

Natural Product ID:  NPC161593
Common Name:   Levodopa
IUPAC Name:   (2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
Synonyms:   Bendopa; Brocadopa; Dopar; Larodopa; Levodopa
Molecular Formula:   C9H11NO4
Standard InCHIKey:  WTDRDQBEARUVNC-LURJTMIESA-N
Standard InCHI:  InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
Canonical SMILES:  OC(=O)[C@H](Cc1ccc(c(c1)O)O)N
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 NPC161593 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 NPC161593 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   6971033;6047
ChEMBL   CHEMBL1009
ZINC  

Physicochemical Properties

Molecular Weight:  197.07
ALogP:  -2.005
MLogP:  1.9
XLogP:  -2.111
# Rotatable Bonds:  7
Polar Surface Area:  103.78
# H-Bond Aceptor:  3
# H-Bond Donor:  4
# Rings:  1
# Heavy Atoms:  14

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Similar NPs/Drugs