Natural Product: NPC477486

Natural Product ID:  NPC477486
Common Name:   Lipoxazolidine C
IUPAC Name:   (2E)-5-butyl-2-[(E)-4-methyl-2-oxodec-3-enylidene]-1,3-oxazolidin-4-one
Synonyms:   Lipoxazolidine C
Molecular Formula:   C18H29NO3
Standard InCHIKey:  NHCONVHYGAHXRU-SWZGKVDCSA-N
Standard InCHI:  InChI=1S/C18H29NO3/c1-4-6-8-9-10-14(3)12-15(20)13-17-19-18(21)16(22-17)11-7-5-2/h12-13,16H,4-11H2,1-3H3,(H,19,21)/b14-12+,17-13+
Canonical SMILES:  CCCCCC/C(=C/C(=O)/C=C1/OC(C(=N1)O)CCCC)/C
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
NPO33549 Marinispora sp. NPS008920 Species NA NA Cocos Lagoon, Guam 2002-JAN PMID[17845000]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT19 Organism Escherichia coli Escherichia coli MIC > 32 ug/ml 17845000
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 4 ug/ml 17845000
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 3 ug/ml 17845000
NPT1118 Organism Streptococcus pneumoniae Streptococcus pneumoniae MIC = 10 ug/ml 17845000
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC = 2 ug/ml 17845000
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC = 16 ug/ml 17845000
NPT1122 Organism Haemophilus influenzae Haemophilus influenzae MIC = 5 ug/ml 17845000

  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 NPC477486 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
1.0 High Similarity NPC477484
0.9726 High Similarity NPC477485
0.6705 Remote Similarity NPC477487
0.631 Remote Similarity NPC469836
0.6292 Remote Similarity NPC91332
0.6292 Remote Similarity NPC162741
0.6264 Remote Similarity NPC471595
0.625 Remote Similarity NPC20934
0.625 Remote Similarity NPC288381
0.6203 Remote Similarity NPC64971
0.618 Remote Similarity NPC471597
0.6163 Remote Similarity NPC288086
0.6163 Remote Similarity NPC469835
0.6154 Remote Similarity NPC469833
0.6154 Remote Similarity NPC326524
0.6154 Remote Similarity NPC329003
0.6154 Remote Similarity NPC325550
0.6154 Remote Similarity NPC469838
0.6098 Remote Similarity NPC83965
0.6092 Remote Similarity NPC217095
0.6092 Remote Similarity NPC264417
0.6026 Remote Similarity NPC321030
0.6 Remote Similarity NPC175614
0.5977 Remote Similarity NPC160540
0.5949 Remote Similarity NPC278202
0.5926 Remote Similarity NPC316674
0.5909 Remote Similarity NPC5485
0.5904 Remote Similarity NPC137163
0.59 Remote Similarity NPC189764
0.5897 Remote Similarity NPC192843
0.5897 Remote Similarity NPC281230
0.5889 Remote Similarity NPC474833
0.5882 Remote Similarity NPC471022
0.5882 Remote Similarity NPC103712
0.5882 Remote Similarity NPC291196
0.5844 Remote Similarity NPC242930
0.5811 Remote Similarity NPC225974
0.5804 Remote Similarity NPC7905
0.5804 Remote Similarity NPC315652
0.5789 Remote Similarity NPC217188
0.5784 Remote Similarity NPC265662
0.5783 Remote Similarity NPC176215
0.5783 Remote Similarity NPC296436
0.578 Remote Similarity NPC113012
0.578 Remote Similarity NPC122926
0.5769 Remote Similarity NPC313234
0.5765 Remote Similarity NPC249713
0.5765 Remote Similarity NPC474823
0.5765 Remote Similarity NPC310210
0.5761 Remote Similarity NPC472948
0.5752 Remote Similarity NPC59751
0.5752 Remote Similarity NPC27413
0.5752 Remote Similarity NPC271621
0.5745 Remote Similarity NPC144415
0.5745 Remote Similarity NPC228638
0.5743 Remote Similarity NPC233273
0.5743 Remote Similarity NPC205546
0.5743 Remote Similarity NPC50902
0.5733 Remote Similarity NPC261571
0.5714 Remote Similarity NPC469598
0.5714 Remote Similarity NPC159369
0.5714 Remote Similarity NPC39290
0.5701 Remote Similarity NPC201128
0.5701 Remote Similarity NPC154601
0.5701 Remote Similarity NPC271269
0.5699 Remote Similarity NPC280367
0.5698 Remote Similarity NPC280065
0.5698 Remote Similarity NPC94488
0.5698 Remote Similarity NPC236208
0.5698 Remote Similarity NPC45060
0.5698 Remote Similarity NPC262673
0.5698 Remote Similarity NPC475004
0.5684 Remote Similarity NPC477199
0.5682 Remote Similarity NPC314678
0.5679 Remote Similarity NPC130807
0.5667 Remote Similarity NPC301207
0.5658 Remote Similarity NPC188341
0.5658 Remote Similarity NPC49494
0.5657 Remote Similarity NPC166554
0.5652 Remote Similarity NPC291260
0.5648 Remote Similarity NPC251330
0.5647 Remote Similarity NPC473357
0.5647 Remote Similarity NPC193029
0.5647 Remote Similarity NPC243272
0.5644 Remote Similarity NPC70323
0.5644 Remote Similarity NPC3568
0.5644 Remote Similarity NPC23454
0.5644 Remote Similarity NPC192066
0.5644 Remote Similarity NPC35269
0.5644 Remote Similarity NPC256570
0.5644 Remote Similarity NPC473314
0.5644 Remote Similarity NPC17290
0.5644 Remote Similarity NPC262312
0.5641 Remote Similarity NPC281590
0.5638 Remote Similarity NPC65930
0.5638 Remote Similarity NPC473780
0.5638 Remote Similarity NPC73310
0.5638 Remote Similarity NPC473529
0.5638 Remote Similarity NPC180363
0.5638 Remote Similarity NPC145914
0.5638 Remote Similarity NPC11332
0.5638 Remote Similarity NPC474312
0.5638 Remote Similarity NPC473712
0.5638 Remote Similarity NPC131002
0.5638 Remote Similarity NPC329829
0.5638 Remote Similarity NPC475159
0.5638 Remote Similarity NPC94875
0.5632 Remote Similarity NPC94743
0.5632 Remote Similarity NPC318766
0.5632 Remote Similarity NPC477455
0.5632 Remote Similarity NPC291062
0.5625 Remote Similarity NPC325734
0.5619 Remote Similarity NPC175531
0.5618 Remote Similarity NPC474321
0.5614 Remote Similarity NPC476190
0.561 Remote Similarity NPC260573
0.561 Remote Similarity NPC29468
0.5607 Remote Similarity NPC472616
0.5604 Remote Similarity NPC474818
0.5604 Remote Similarity NPC49302
0.5604 Remote Similarity NPC176329
0.5604 Remote Similarity NPC51809
0.5604 Remote Similarity NPC125365
0.5603 Remote Similarity NPC473808
0.56 Remote Similarity NPC146852
0.56 Remote Similarity NPC472264

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477486 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
0.6207 Remote Similarity NPD818 Approved
0.6207 Remote Similarity NPD819 Approved
0.5752 Remote Similarity NPD7505 Discontinued
0.5727 Remote Similarity NPD7116 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   23642823
ChEMBL   CHEMBL251478
ZINC  

Physicochemical Properties

Molecular Weight:  307.21
ALogP:  -1.3297
MLogP:  3
XLogP:  5.248
# Rotatable Bonds:  14
Polar Surface Area:  58.89
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  22

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs