Natural Product: NPC172622

Natural Product ID:  NPC172622
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H26O4
Standard InCHIKey:  DGXAQSCCBAJJAS-OXWFSDFCSA-N
Standard InCHI:  InChI=1S/C15H26O4/c1-8(2)9-5-6-14(3)12(18-14)10(16)7-15(4)13(19-15)11(9)17/h8-13,16-17H,5-7H2,1-4H3/t9-,10+,11+,12-,13-,14-,15-/m0/s1
Canonical SMILES:  CC([C@@H]1CC[C@]2(C)O[C@H]2[C@@H](C[C@]2([C@H]([C@@H]1O)O2)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 NPC172622 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 NPC172622 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   15699881
ChEMBL   CHEMBL501300
ZINC  

Physicochemical Properties

Molecular Weight:  270.18
ALogP:  -0.0876
MLogP:  2.67
XLogP:  1.644
# Rotatable Bonds:  7
Polar Surface Area:  65.52
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

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Similar NPs/Drugs