Natural Product: NPC470664

Natural Product ID:  NPC470664
Common Name:   Elaiomycin F
IUPAC Name:  
Synonyms:   Elaiomycin F
Molecular Formula:   C13H28N2O3
Standard InCHIKey:  WGHHPQYWXONJQE-ULNCKAKWSA-N
Standard InCHI:  InChI=1S/C13H28N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h12-13,16H,4-11H2,1-3H3/b15-14-/t12-,13-/m0/s1
Canonical SMILES:  CCCCCCCC/N(=N/[C@H]([C@@H](O)C)COC)/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
NPO32477 Streptomyces sp. Under-species NA NA PMID[23013356]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 22435669
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum IZ = 0 mm 16202589
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 0 mm 18597527
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 0 mm 17428663
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 25338277
NPT111 Cell Line K562 Homo sapiens GI50 > 50 ug/ml 25304895
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 21803587
NPT737 Cell Line HUVEC Homo sapiens GI50 > 50 ug/ml 25437304
NPT165 Cell Line HeLa Homo sapiens CC50 = 30.5 ug/ml 25695368
NPT3473 Organism Mycobacterium vaccae Mycobacterium vaccae IZ = 0 mm 22272829
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 19581457
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 19581457
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 22037378
NPT21 Organism Aspergillus niger Aspergillus niger IZ = 0 mm 25554367
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 0 mm 25554367
NPT184 Organism Aspergillus terreus Aspergillus terreus IZ = 0 mm 20674349
NPT3474 Organism Sporidiobolus salmonicolor Sporidiobolus salmonicolor IZ = 0 mm 19752282

  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 NPC470664 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
0.8421 Intermediate Similarity NPC470665
0.8148 Intermediate Similarity NPC470666
0.75 Intermediate Similarity NPC51166
0.6923 Remote Similarity NPC470663
0.6842 Remote Similarity NPC474322
0.6842 Remote Similarity NPC123814
0.6727 Remote Similarity NPC96966
0.6727 Remote Similarity NPC29222
0.6727 Remote Similarity NPC121062
0.6724 Remote Similarity NPC270041
0.6618 Remote Similarity NPC470662
0.6406 Remote Similarity NPC17455
0.6393 Remote Similarity NPC8979
0.6333 Remote Similarity NPC471917
0.6094 Remote Similarity NPC319131
0.5938 Remote Similarity NPC471421
0.5938 Remote Similarity NPC233364
0.5909 Remote Similarity NPC145627
0.5873 Remote Similarity NPC293551
0.5806 Remote Similarity NPC471442
0.5806 Remote Similarity NPC471423
0.5781 Remote Similarity NPC168308
0.5781 Remote Similarity NPC302569
0.5672 Remote Similarity NPC47333
0.5634 Remote Similarity NPC474299
0.5634 Remote Similarity NPC28348
0.5634 Remote Similarity NPC475808
0.5634 Remote Similarity NPC474298
0.5634 Remote Similarity NPC473985
0.5625 Remote Similarity NPC471605
0.5625 Remote Similarity NPC471443

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470664 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 NPD3215 Phase 1
0.6491 Remote Similarity NPD3214 Discontinued
0.5833 Remote Similarity NPD3187 Discontinued
0.5738 Remote Similarity NPD9668 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL2152471
ZINC  

Physicochemical Properties

Molecular Weight:  260.21
ALogP:  -3.086
MLogP:  2.34
XLogP:  2.678
# Rotatable Bonds:  15
Polar Surface Area:  70.57
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  0
# Heavy Atoms:  18

Download Data

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Biological Activities  
Similar NPs/Drugs