Natural Product: NPC317825

Natural Product ID:  NPC317825
Common Name:   Phosphoric Acid Monomethyl Ester
IUPAC Name:   methyl dihydrogen phosphate
Synonyms:   Phosphoric Acid Monomethyl Ester
Molecular Formula:   CH5O4P
Standard InCHIKey:  CAAULPUQFIIOTL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
Canonical SMILES:  COP(=O)(O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO4011 Chlamydomonas reinhardtii Species Chlamydomonadaceae Eukaryota PMID[25515814]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 707000 nM 12383012

  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 NPC317825 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.5833 Remote Similarity NPC317545

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC317825 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.6842 Remote Similarity NPD9771 Approved
0.6818 Remote Similarity NPD8559 Clinical (unspecified phase)
0.6471 Remote Similarity NPD9770 Approved
0.6 Remote Similarity NPD9732 Approved
0.5909 Remote Similarity NPD7384 Approved
0.5652 Remote Similarity NPD7385 Approved
0.56 Remote Similarity NPD8220 Approved
0.56 Remote Similarity NPD8219 Approved

Structure

External Identifiers

PubChem CID   13130
ChEMBL   CHEMBL344340
ZINC  

Physicochemical Properties

Molecular Weight:  111.99
ALogP:  -0.2938
MLogP:  1.02
XLogP:  -1.728
# Rotatable Bonds:  4
Polar Surface Area:  76.57
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  6

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Similar NPs/Drugs