Natural Product: NPC471985

Natural Product ID:  NPC471985
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H24O6
Standard InCHIKey:  LJVOUFXVBIKXNV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H24O6/c1-13(2)5-6-16-17(26)11-18(27)22-19(28)12-21(30-24(16)22)15-9-14-7-8-25(3,4)31-23(14)20(29)10-15/h5,7-12,26-27,29H,6H2,1-4H3
Canonical SMILES:  CC(=CCc1c(O)cc(c2c1oc(cc2=O)c1cc(O)c2c(c1)C=CC(O2)(C)C)O)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 NPC471985 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 NPC471985 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  
ChEMBL   CHEMBL3314710
ZINC  

Physicochemical Properties

Molecular Weight:  420.16
ALogP:  0.9007
MLogP:  3.55
XLogP:  3.474
# Rotatable Bonds:  10
Polar Surface Area:  96.22
# H-Bond Aceptor:  1
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  31

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Biological Activities  
Similar NPs/Drugs