Natural Product: NPC477740

Natural Product ID:  NPC477740
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C16H27NO
Standard InCHIKey:  ZMNALZIXBKIMDE-XFHWEBQZSA-N
Standard InCHI:  InChI=1S/C16H27NO/c1-10(2)11-8-16(4)13-5-6-15(3,7-12(11)13)14(16)17-9-18/h9-14H,5-8H2,1-4H3,(H,17,18)/t11-,12+,13+,14-,15-,16-/m0/s1
Canonical SMILES:  OC=N[C@H]1[C@@]2(C)CC[C@H]3[C@]1(C)C[C@H]([C@H]3C2)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 NPC477740 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 NPC477740 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   76313606
ChEMBL   CHEMBL3087824
ZINC  

Physicochemical Properties

Molecular Weight:  249.21
ALogP:  1.1182
MLogP:  3
XLogP:  5.091
# Rotatable Bonds:  7
Polar Surface Area:  32.59
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  18

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Similar NPs/Drugs