Natural Product: NPC477739

Natural Product ID:  NPC477739
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C16H27NO
Standard InCHIKey:  PDLPLWDSKGNXJE-IBPCWRJOSA-N
Standard InCHI:  InChI=1S/C16H27NO/c1-10(2)12-8-15(3)13-5-6-16(4,17-9-18)14(15)7-11(12)13/h9-14H,5-8H2,1-4H3,(H,17,18)/t11-,12+,13-,14+,15+,16+/m1/s1
Canonical SMILES:  OC=N[C@@]1(C)CC[C@H]2[C@]3([C@@H]1C[C@@H]2[C@@H](C3)C(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 NPC477739 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 NPC477739 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   72945679
ChEMBL   CHEMBL3087825
ZINC  

Physicochemical Properties

Molecular Weight:  249.21
ALogP:  1.0632
MLogP:  3
XLogP:  5.228
# Rotatable Bonds:  7
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  18

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Similar NPs/Drugs