Natural Product: NPC190514

Natural Product ID:  NPC190514
Common Name:   Stilbostemin D
IUPAC Name:   5-[2-(2-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diol
Synonyms:  
Molecular Formula:   C16H18O3
Standard InCHIKey:  LLRJCKLNDNKRTF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H18O3/c1-11-14(17)9-12(10-15(11)18)7-8-13-5-3-4-6-16(13)19-2/h3-6,9-10,17-18H,7-8H2,1-2H3
Canonical SMILES:  COc1ccccc1CCc1cc(O)c(c(c1)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 NPC190514 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 NPC190514 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   15222503
ChEMBL   CHEMBL462852
ZINC  

Physicochemical Properties

Molecular Weight:  258.13
ALogP:  -0.2056
MLogP:  2.89
XLogP:  3.64
# Rotatable Bonds:  8
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

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Similar NPs/Drugs