Natural Product: NPC298484

Natural Product ID:  NPC298484
Common Name:   Mycenaaurin A
IUPAC Name:   (2S)-4-[6-[(1E,3E,5E,7E,9E,11E,14R,17E,20R)-20-[(3S)-3-acetamido-3-carboxypropoxy]-14-hydroxyhenicosa-1,3,5,7,9,11,17-heptaenyl]-4-hydroxy-2-oxopyran-3-yl]-2-aminobutanoic acid
Synonyms:  
Molecular Formula:   C36H48N2O10
Standard InCHIKey:  NHHXOQXQYBQILS-RBVSEJCNSA-N
Standard InCHI:  InChI=1S/C36H48N2O10/c1-26(47-24-23-32(35(44)45)38-27(2)39)17-13-12-15-19-28(40)18-14-10-8-6-4-3-5-7-9-11-16-20-29-25-33(41)30(36(46)48-29)21-22-31(37)34(42)43/h3-14,16,20,25-26,28,31-32,40-41H,15,17-19,21-24,37H2,1-2H3,(H,38,39)(H,42,43)(H,44,45)/b4-3+,7-5+,8-6+,11-9+,13-12+,14-10+,20-16+/t26-,28+,31+,32+/m1/s1
Canonical SMILES:  O[C@H](CC/C=C/C[C@H](OCC[C@@H](C(=O)O)N=C(O)C)C)C/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(O)c(c(=O)o1)CC[C@@H](C(=O)O)N
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
NPO24097 Pterocarpus lucens Species Fabaceae Eukaryota UNPD*
NPO18299 Dahlia tubulata Species Asteraceae Eukaryota UNPD*
NPO21986 Claviceps sorghi Species Clavicipitaceae Eukaryota UNPD*
NPO23616 Pluchea arguta Species Asteraceae Eukaryota UNPD*
NPO23563 Kuetzingia natalensis Species Rhodomelaceae Eukaryota UNPD*
NPO25035 Mycena aurantiomarginata Species Tricholomataceae Eukaryota UNPD*
NPO19102 Adenia glauca Species Passifloraceae Eukaryota UNPD*
NPO21362 Harrisonia perforata Species Rutaceae Eukaryota UNPD*
NPO23890 Valeriana pseudofficinalis Species Caprifoliaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2642 Organism Bacillus pumilus Bacillus pumilus IZ = 25 mm 20617819

  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 NPC298484 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
0.7568 Intermediate Similarity NPC469895
0.7232 Intermediate Similarity NPC313234
0.7027 Intermediate Similarity NPC175614
0.6667 Remote Similarity NPC265662
0.6637 Remote Similarity NPC189764
0.6637 Remote Similarity NPC233273
0.6637 Remote Similarity NPC205546
0.6637 Remote Similarity NPC50902
0.6565 Remote Similarity NPC477793
0.6565 Remote Similarity NPC329919
0.6532 Remote Similarity NPC471645
0.6493 Remote Similarity NPC314361
0.6484 Remote Similarity NPC315915
0.6471 Remote Similarity NPC74035
0.6462 Remote Similarity NPC36254
0.6441 Remote Similarity NPC325339
0.6441 Remote Similarity NPC72401
0.6429 Remote Similarity NPC27413
0.6429 Remote Similarity NPC271621
0.6429 Remote Similarity NPC59751
0.6417 Remote Similarity NPC154601
0.6403 Remote Similarity NPC315210
0.6403 Remote Similarity NPC315848
0.6364 Remote Similarity NPC473249
0.6364 Remote Similarity NPC251330
0.6356 Remote Similarity NPC316250
0.6341 Remote Similarity NPC477997
0.6339 Remote Similarity NPC159369
0.6339 Remote Similarity NPC39290
0.6325 Remote Similarity NPC132931
0.6321 Remote Similarity NPC157173
0.6299 Remote Similarity NPC147707
0.6296 Remote Similarity NPC474312
0.629 Remote Similarity NPC29501
0.6281 Remote Similarity NPC475918
0.6281 Remote Similarity NPC201128
0.6281 Remote Similarity NPC271269
0.6279 Remote Similarity NPC473808
0.627 Remote Similarity NPC472536
0.627 Remote Similarity NPC103391
0.626 Remote Similarity NPC315783
0.625 Remote Similarity NPC296361
0.625 Remote Similarity NPC55336
0.6239 Remote Similarity NPC167380
0.622 Remote Similarity NPC315652
0.622 Remote Similarity NPC7905
0.6216 Remote Similarity NPC469860
0.6216 Remote Similarity NPC469861
0.6216 Remote Similarity NPC130436
0.6214 Remote Similarity NPC284006
0.6202 Remote Similarity NPC67917
0.6202 Remote Similarity NPC313802
0.6202 Remote Similarity NPC477515
0.6202 Remote Similarity NPC314268
0.619 Remote Similarity NPC5485
0.6172 Remote Similarity NPC316325
0.6154 Remote Similarity NPC11379
0.6148 Remote Similarity NPC472615
0.6139 Remote Similarity NPC238223
0.6129 Remote Similarity NPC24389
0.6129 Remote Similarity NPC133729
0.6102 Remote Similarity NPC476344
0.6099 Remote Similarity NPC25025
0.6098 Remote Similarity NPC315531
0.6098 Remote Similarity NPC315426
0.6095 Remote Similarity NPC478192
0.6095 Remote Similarity NPC478195
0.6095 Remote Similarity NPC478194
0.6095 Remote Similarity NPC478193
0.6095 Remote Similarity NPC478196
0.6095 Remote Similarity NPC478191
0.609 Remote Similarity NPC160493
0.6084 Remote Similarity NPC71866
0.6084 Remote Similarity NPC304299
0.6084 Remote Similarity NPC475266
0.6084 Remote Similarity NPC475278
0.6084 Remote Similarity NPC309450
0.6084 Remote Similarity NPC247776
0.6075 Remote Similarity NPC182292
0.6075 Remote Similarity NPC474833
0.6071 Remote Similarity NPC315395
0.6071 Remote Similarity NPC316426
0.6071 Remote Similarity NPC258824
0.6068 Remote Similarity NPC150041
0.6061 Remote Similarity NPC273185
0.6058 Remote Similarity NPC314678
0.6058 Remote Similarity NPC120335
0.604 Remote Similarity NPC132286
0.6036 Remote Similarity NPC161670
0.6032 Remote Similarity NPC170375
0.6019 Remote Similarity NPC59558
0.6017 Remote Similarity NPC121857
0.6017 Remote Similarity NPC45313
0.5985 Remote Similarity NPC315188
0.5984 Remote Similarity NPC469865
0.5969 Remote Similarity NPC172197
0.5969 Remote Similarity NPC274293
0.5965 Remote Similarity NPC316186
0.5954 Remote Similarity NPC471261
0.5952 Remote Similarity NPC122926
0.5952 Remote Similarity NPC113012
0.595 Remote Similarity NPC175531
0.5948 Remote Similarity NPC319473
0.5946 Remote Similarity NPC16488
0.5943 Remote Similarity NPC260396
0.5941 Remote Similarity NPC314221
0.5941 Remote Similarity NPC60424
0.594 Remote Similarity NPC190663
0.5935 Remote Similarity NPC205176
0.5935 Remote Similarity NPC472616
0.5929 Remote Similarity NPC202056
0.5926 Remote Similarity NPC313173
0.5923 Remote Similarity NPC475642
0.592 Remote Similarity NPC474099
0.5913 Remote Similarity NPC307092
0.5913 Remote Similarity NPC51358
0.5906 Remote Similarity NPC147238
0.5906 Remote Similarity NPC476875
0.5906 Remote Similarity NPC21713
0.5906 Remote Similarity NPC475608
0.5902 Remote Similarity NPC128501
0.5896 Remote Similarity NPC66855
0.5896 Remote Similarity NPC16709
0.5887 Remote Similarity NPC472433
0.5882 Remote Similarity NPC8098
0.5882 Remote Similarity NPC165332
0.5882 Remote Similarity NPC183449
0.5882 Remote Similarity NPC197294
0.5882 Remote Similarity NPC180722
0.5882 Remote Similarity NPC195645
0.5878 Remote Similarity NPC9714
0.5873 Remote Similarity NPC329305
0.5865 Remote Similarity NPC202011
0.5865 Remote Similarity NPC314293
0.5862 Remote Similarity NPC274075
0.5862 Remote Similarity NPC319021
0.5855 Remote Similarity NPC475342
0.5854 Remote Similarity NPC199831
0.5854 Remote Similarity NPC474828
0.5854 Remote Similarity NPC474827
0.5854 Remote Similarity NPC68001
0.5847 Remote Similarity NPC70323
0.5847 Remote Similarity NPC262312
0.5847 Remote Similarity NPC23454
0.5847 Remote Similarity NPC35269
0.5846 Remote Similarity NPC288109
0.5845 Remote Similarity NPC230889
0.5842 Remote Similarity NPC471565
0.5842 Remote Similarity NPC471566
0.5842 Remote Similarity NPC471556
0.5841 Remote Similarity NPC182383
0.584 Remote Similarity NPC271562
0.5839 Remote Similarity NPC47667
0.5833 Remote Similarity NPC315394
0.5827 Remote Similarity NPC161644
0.5827 Remote Similarity NPC251122
0.5826 Remote Similarity NPC470137
0.5826 Remote Similarity NPC473658
0.5826 Remote Similarity NPC26078
0.582 Remote Similarity NPC188785
0.5816 Remote Similarity NPC239252
0.5816 Remote Similarity NPC473703
0.5814 Remote Similarity NPC273814
0.5812 Remote Similarity NPC472264
0.581 Remote Similarity NPC316185
0.581 Remote Similarity NPC293114
0.5806 Remote Similarity NPC477000
0.5806 Remote Similarity NPC477001
0.5804 Remote Similarity NPC228638
0.5802 Remote Similarity NPC197470
0.5798 Remote Similarity NPC469739
0.5794 Remote Similarity NPC315552
0.5794 Remote Similarity NPC475150
0.5789 Remote Similarity NPC47220
0.5789 Remote Similarity NPC103523
0.5789 Remote Similarity NPC69082
0.5789 Remote Similarity NPC314992
0.5789 Remote Similarity NPC134865
0.5789 Remote Similarity NPC186332
0.5789 Remote Similarity NPC47937
0.5789 Remote Similarity NPC279267
0.5784 Remote Similarity NPC146811
0.5781 Remote Similarity NPC47857
0.5781 Remote Similarity NPC181510
0.5781 Remote Similarity NPC168758
0.5776 Remote Similarity NPC139418
0.5772 Remote Similarity NPC474244
0.5769 Remote Similarity NPC471022
0.5763 Remote Similarity NPC320552
0.575 Remote Similarity NPC475503
0.5748 Remote Similarity NPC474891
0.5748 Remote Similarity NPC473578
0.5746 Remote Similarity NPC156379
0.5746 Remote Similarity NPC475383
0.5746 Remote Similarity NPC245534
0.5743 Remote Similarity NPC477519
0.5741 Remote Similarity NPC470705
0.5739 Remote Similarity NPC178215
0.5739 Remote Similarity NPC472614
0.5736 Remote Similarity NPC273215

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC298484 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
0.7568 Intermediate Similarity NPD2258 Approved
0.7568 Intermediate Similarity NPD2259 Approved
0.6667 Remote Similarity NPD4816 Clinical (unspecified phase)
0.6434 Remote Similarity NPD7624 Clinical (unspecified phase)
0.6434 Remote Similarity NPD7623 Phase 3
0.6423 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6387 Remote Similarity NPD1407 Approved
0.6364 Remote Similarity NPD7747 Phase 1
0.6364 Remote Similarity NPD7746 Phase 1
0.6357 Remote Similarity NPD7739 Clinical (unspecified phase)
0.6341 Remote Similarity NPD6421 Discontinued
0.6293 Remote Similarity NPD4228 Discovery
0.626 Remote Similarity NPD7829 Approved
0.626 Remote Similarity NPD7830 Approved
0.622 Remote Similarity NPD869 Approved
0.6172 Remote Similarity NPD7500 Approved
0.6107 Remote Similarity NPD8444 Approved
0.6032 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5909 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5882 Remote Similarity NPD7839 Suspended
0.5873 Remote Similarity NPD6413 Approved
0.5862 Remote Similarity NPD6094 Approved
0.5862 Remote Similarity NPD6095 Approved
0.5827 Remote Similarity NPD6420 Discontinued
0.5822 Remote Similarity NPD7978 Discontinued
0.5809 Remote Similarity NPD8273 Phase 1
0.5802 Remote Similarity NPD7505 Discontinued
0.5802 Remote Similarity NPD1348 Approved
0.5789 Remote Similarity NPD2217 Approved
0.5789 Remote Similarity NPD2218 Phase 2
0.5763 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5758 Remote Similarity NPD7641 Discontinued
0.5714 Remote Similarity NPD8394 Approved
0.5693 Remote Similarity NPD8451 Approved
0.5682 Remote Similarity NPD6935 Phase 3
0.5682 Remote Similarity NPD6936 Clinical (unspecified phase)
0.5656 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5652 Remote Similarity NPD8448 Approved
0.5643 Remote Similarity NPD8392 Approved
0.5643 Remote Similarity NPD8391 Approved
0.5643 Remote Similarity NPD8390 Approved
0.5639 Remote Similarity NPD2099 Approved
0.5634 Remote Similarity NPD3136 Phase 2
0.5625 Remote Similarity NPD6941 Approved
0.562 Remote Similarity NPD8342 Approved
0.562 Remote Similarity NPD8299 Approved
0.562 Remote Similarity NPD8341 Approved
0.562 Remote Similarity NPD6428 Approved
0.562 Remote Similarity NPD8340 Approved

Structure

External Identifiers

PubChem CID   54733190
ChEMBL   CHEMBL1214088
ZINC  

Physicochemical Properties

Molecular Weight:  668.33
ALogP:  0.6111
MLogP:  4.1
XLogP:  1.785
# Rotatable Bonds:  31
Polar Surface Area:  209.2
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  1
# Heavy Atoms:  48

Download Data

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