Natural Product: NPC472964

Natural Product ID:  NPC472964
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H32O7
Standard InCHIKey:  NOYKABOIKMCYIR-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C25H32O7/c1-24(2,31)11-4-12-25(3)22(30)14-18-15(6-10-20(28)23(18)32-25)5-9-19(27)17-8-7-16(26)13-21(17)29/h6-8,10,13,22,26,28-31H,4-5,9,11-12,14H2,1-3H3
Canonical SMILES:  Oc1ccc(c(c1)O)C(=O)CCc1ccc(c2c1CC(O)C(O2)(C)CCCC(O)(C)C)O
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 NPC472964 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 NPC472964 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   CHEMBL3594224
ZINC  

Physicochemical Properties

Molecular Weight:  444.21
ALogP:  -1.6383
MLogP:  3.44
XLogP:  2.718
# Rotatable Bonds:  16
Polar Surface Area:  127.45
# H-Bond Aceptor:  3
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  32

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Biological Activities  
Similar NPs/Drugs