Natural Product: NPC470663

Natural Product ID:  NPC470663
Common Name:   Elaiomycin E
IUPAC Name:  
Synonyms:   Elaiomycin E
Molecular Formula:   C13H26N2O4
Standard InCHIKey:  GCPVNKGMEZZCJD-UNBCWUHVSA-N
Standard InCHI:  InChI=1S/C13H26N2O4/c1-4-5-6-7-12(17)8-9-15(18)14-13(10-19-3)11(2)16/h8-9,11-13,16-17H,4-7,10H2,1-3H3/b9-8+,15-14-/t11-,12?,13-/m0/s1
Canonical SMILES:  CCCCCC(/C=C/N(=N/[C@H]([C@@H](O)C)COC)/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
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
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 23282042
NPT87 Organism Aspergillus fumigatus Aspergillus fumigatus IZ = 0 mm 19097799
NPT3473 Organism Mycobacterium vaccae Mycobacterium vaccae IZ = 0 mm 1336040
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 0 mm 17428663
NPT20 Organism Candida albicans Candida albicans IZ = 0 mm 25419616
NPT111 Cell Line K562 Homo sapiens GI50 = 30.3 ug/ml 25304895
NPT165 Cell Line HeLa Homo sapiens CC50 > 50 ug/ml 25304895
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 0 mm 23398362
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 10 mm 23465614
NPT175 Organism Enterococcus faecalis Enterococcus faecalis IZ = 10 mm 3598597
NPT184 Organism Aspergillus terreus Aspergillus terreus IZ = 0 mm 18348535
NPT737 Cell Line HUVEC Homo sapiens GI50 = 31.2 ug/ml 17923492
NPT19 Organism Escherichia coli Escherichia coli IZ = 0 mm 19581457
NPT2242 Organism Penicillium chrysogenum Penicillium chrysogenum IZ = 0 mm 21652215
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa IZ = 10 mm 22037378
NPT21 Organism Aspergillus niger Aspergillus niger IZ = 0 mm 25554367
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 NPC470663 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
0.9194 High Similarity NPC51166
0.8406 Intermediate Similarity NPC470662
0.6923 Remote Similarity NPC470664
0.6528 Remote Similarity NPC47333
0.6438 Remote Similarity NPC55068
0.6429 Remote Similarity NPC168308
0.6429 Remote Similarity NPC302569
0.6364 Remote Similarity NPC103712
0.6364 Remote Similarity NPC291196
0.6301 Remote Similarity NPC470665
0.629 Remote Similarity NPC46248
0.629 Remote Similarity NPC249801
0.625 Remote Similarity NPC288086
0.6184 Remote Similarity NPC113224
0.6076 Remote Similarity NPC324638
0.6049 Remote Similarity NPC470993
0.6049 Remote Similarity NPC470992
0.5976 Remote Similarity NPC3094
0.593 Remote Similarity NPC82799
0.5862 Remote Similarity NPC474312
0.5823 Remote Similarity NPC474812
0.5795 Remote Similarity NPC228638
0.5783 Remote Similarity NPC212008
0.5783 Remote Similarity NPC51055
0.5783 Remote Similarity NPC62293
0.5783 Remote Similarity NPC140327
0.5783 Remote Similarity NPC264417
0.5783 Remote Similarity NPC217095
0.5775 Remote Similarity NPC470666
0.5732 Remote Similarity NPC314678
0.573 Remote Similarity NPC470943
0.5676 Remote Similarity NPC321030
0.5641 Remote Similarity NPC477525
0.5634 Remote Similarity NPC474496
0.5632 Remote Similarity NPC79367
0.56 Remote Similarity NPC325550
0.56 Remote Similarity NPC329003
0.56 Remote Similarity NPC326524

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470663 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
0.6438 Remote Similarity NPD3210 Clinical (unspecified phase)
0.6076 Remote Similarity NPD3212 Clinical (unspecified phase)
0.573 Remote Similarity NPD9640 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL2152470
ZINC  

Physicochemical Properties

Molecular Weight:  274.19
ALogP:  -3.4164
MLogP:  2.23
XLogP:  2.651
# Rotatable Bonds:  15
Polar Surface Area:  90.8
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  0
# Heavy Atoms:  19

Download Data

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Biological Activities  
Similar NPs/Drugs