Natural Product: NPC206186

Natural Product ID:  NPC206186
Common Name:   Marcanin A
IUPAC Name:   4-methyl-1H-benzo[g]quinoline-2,5,10-trione
Synonyms:  
Molecular Formula:   C14H9NO3
Standard InCHIKey:  GYAHTYNHCVTZOK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)
Canonical SMILES:  Oc1cc(C)c2c(n1)C(=O)c1c(C2=O)cccc1
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 NPC206186 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 NPC206186 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   10105653
ChEMBL   CHEMBL473465
ZINC  

Physicochemical Properties

Molecular Weight:  239.06
ALogP:  -0.3459
MLogP:  2.56
XLogP:  2.504
# Rotatable Bonds:  2
Polar Surface Area:  67.26
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

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Similar NPs/Drugs