Natural Product: NPC475073

Natural Product ID:  NPC475073
Common Name:   Penicillic Acid
IUPAC Name:   5-hydroxy-4-methoxy-5-prop-1-en-2-ylfuran-2-one
Synonyms:   Penicillic Acid
Molecular Formula:   C8H10O4
Standard InCHIKey:  YCOFRPYSZKIPBQ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H10O4/c1-5(2)8(10)6(11-3)4-7(9)12-8/h4,10H,1H2,2-3H3
Canonical SMILES:  COC1=CC(=O)OC1(O)C(=C)C
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 NPC475073 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 NPC475073 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   4728
ChEMBL   CHEMBL495778
ZINC  

Physicochemical Properties

Molecular Weight:  170.06
ALogP:  0.485
MLogP:  1.9
XLogP:  0.065
# Rotatable Bonds:  5
Polar Surface Area:  55.76
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  12

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Similar NPs/Drugs