Natural Product: NPC269644

Natural Product ID:  NPC269644
Common Name:   Pulvinic Dilactone
IUPAC Name:   3,6-diphenylfuro[3,2-b]furan-2,5-dione
Synonyms:  
Molecular Formula:   C18H10O4
Standard InCHIKey:  KQTXUHHOWJUFOZ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H10O4/c19-17-13(11-7-3-1-4-8-11)15-16(22-17)14(18(20)21-15)12-9-5-2-6-10-12/h1-10H
Canonical SMILES:  O=C1OC2=C(C(=O)OC2=C1c1ccccc1)c1ccccc1
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 NPC269644 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 NPC269644 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   72617
ChEMBL   CHEMBL2272213
ZINC  

Physicochemical Properties

Molecular Weight:  290.06
ALogP:  -0.5314
MLogP:  3
XLogP:  6.934
# Rotatable Bonds:  2
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  22

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Similar NPs/Drugs