Natural Product: NPC474699

Natural Product ID:  NPC474699
Common Name:   Coriolin
IUPAC Name:  
Synonyms:   Coriolin
Molecular Formula:   C15H20O5
Standard InCHIKey:  OMAFWWAJLVYWPU-ZOEJUPFXSA-N
Standard InCHI:  InChI=1S/C15H20O5/c1-12(2)4-6-7(9(12)17)13(3)14(5-19-14)10(18)11-15(13,20-11)8(6)16/h6-9,11,16-17H,4-5H2,1-3H3/t6-,7-,8-,9+,11+,13+,14-,15+/m0/s1
Canonical SMILES:  O[C@H]1[C@H]2CC([C@@H]([C@H]2[C@]2([C@]31O[C@@H]3C(=O)[C@]12CO1)C)O)(C)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
NPO33 Coriolus consors Species Coriolaceae Eukaryota J. Antibiot.,1969,22: 215-217

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT3146 Organism Micrococcus Micrococcus MIC = 12.5 ug/ml 9514009
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 12.5 ug/ml 19110419
NPT1550 Organism Bacillus anthracis Bacillus anthracis MIC = 12.5 ug/ml 19110419

  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 NPC474699 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
0.8211 Intermediate Similarity NPC470191
0.8 Intermediate Similarity NPC475488
0.7802 Intermediate Similarity NPC157328
0.7745 Intermediate Similarity NPC114365
0.7745 Intermediate Similarity NPC132304
0.7745 Intermediate Similarity NPC154962
0.7745 Intermediate Similarity NPC177518
0.7745 Intermediate Similarity NPC123070
0.7745 Intermediate Similarity NPC18433
0.7745 Intermediate Similarity NPC18044
0.7745 Intermediate Similarity NPC88890
0.7745 Intermediate Similarity NPC169089
0.7692 Intermediate Similarity NPC212340
0.7549 Intermediate Similarity NPC292803
0.75 Intermediate Similarity NPC168890
0.75 Intermediate Similarity NPC278028
0.75 Intermediate Similarity NPC328180
0.7431 Intermediate Similarity NPC470115
0.7431 Intermediate Similarity NPC470116
0.7407 Intermediate Similarity NPC98870
0.7358 Intermediate Similarity NPC278693
0.7358 Intermediate Similarity NPC220773
0.7333 Intermediate Similarity NPC214030
0.7333 Intermediate Similarity NPC83108
0.73 Intermediate Similarity NPC17336
0.7255 Intermediate Similarity NPC476294
0.7255 Intermediate Similarity NPC253995
0.7253 Intermediate Similarity NPC470014
0.7228 Intermediate Similarity NPC477264
0.7222 Intermediate Similarity NPC182185
0.72 Intermediate Similarity NPC217567
0.72 Intermediate Similarity NPC76136
0.72 Intermediate Similarity NPC329713
0.7196 Intermediate Similarity NPC167044
0.7196 Intermediate Similarity NPC329876
0.717 Intermediate Similarity NPC474101
0.717 Intermediate Similarity NPC44004
0.7158 Intermediate Similarity NPC475689
0.713 Intermediate Similarity NPC217041
0.7115 Intermediate Similarity NPC259654
0.7115 Intermediate Similarity NPC298266
0.7115 Intermediate Similarity NPC471767
0.7103 Intermediate Similarity NPC176756
0.7087 Intermediate Similarity NPC211087
0.7087 Intermediate Similarity NPC274695
0.708 Intermediate Similarity NPC475401
0.7053 Intermediate Similarity NPC473629
0.7048 Intermediate Similarity NPC250594
0.7041 Intermediate Similarity NPC226491
0.7041 Intermediate Similarity NPC477614
0.7037 Intermediate Similarity NPC117604
0.703 Intermediate Similarity NPC298919
0.7018 Intermediate Similarity NPC477092
0.701 Intermediate Similarity NPC475729
0.701 Intermediate Similarity NPC474215
0.7009 Intermediate Similarity NPC41674
0.7009 Intermediate Similarity NPC228311
0.7009 Intermediate Similarity NPC469441
0.7 Intermediate Similarity NPC469627
0.6991 Remote Similarity NPC475305
0.697 Remote Similarity NPC97032
0.6964 Remote Similarity NPC300051
0.6952 Remote Similarity NPC178853
0.6944 Remote Similarity NPC469787
0.6944 Remote Similarity NPC469788
0.6944 Remote Similarity NPC290247
0.6944 Remote Similarity NPC204884
0.6923 Remote Similarity NPC179922
0.69 Remote Similarity NPC65359
0.6881 Remote Similarity NPC9013
0.6875 Remote Similarity NPC97002
0.6875 Remote Similarity NPC260852
0.6863 Remote Similarity NPC470423
0.6863 Remote Similarity NPC206878
0.6857 Remote Similarity NPC471381
0.6847 Remote Similarity NPC473062
0.6837 Remote Similarity NPC474448
0.6832 Remote Similarity NPC474065
0.6813 Remote Similarity NPC477867
0.6813 Remote Similarity NPC215030
0.6813 Remote Similarity NPC125164
0.6804 Remote Similarity NPC291310
0.6778 Remote Similarity NPC96322
0.6774 Remote Similarity NPC108014
0.6768 Remote Similarity NPC31349
0.6765 Remote Similarity NPC476189
0.6762 Remote Similarity NPC109556
0.6762 Remote Similarity NPC45125
0.6759 Remote Similarity NPC473526
0.6759 Remote Similarity NPC473701
0.6739 Remote Similarity NPC68565
0.6739 Remote Similarity NPC35871
0.6733 Remote Similarity NPC246173
0.6731 Remote Similarity NPC116683
0.6731 Remote Similarity NPC476728
0.6729 Remote Similarity NPC49393
0.6701 Remote Similarity NPC292458
0.6701 Remote Similarity NPC268578
0.6701 Remote Similarity NPC217559
0.6701 Remote Similarity NPC227170
0.6699 Remote Similarity NPC470424
0.6698 Remote Similarity NPC186861
0.6696 Remote Similarity NPC475495
0.6667 Remote Similarity NPC165069
0.6667 Remote Similarity NPC470657
0.6667 Remote Similarity NPC469350
0.6667 Remote Similarity NPC476727
0.6667 Remote Similarity NPC476726
0.6667 Remote Similarity NPC471253
0.6667 Remote Similarity NPC472745
0.6667 Remote Similarity NPC59489
0.6667 Remote Similarity NPC77089
0.6667 Remote Similarity NPC139838
0.6667 Remote Similarity NPC311904
0.6667 Remote Similarity NPC254123
0.6637 Remote Similarity NPC477093
0.6637 Remote Similarity NPC475277
0.6637 Remote Similarity NPC473522
0.6636 Remote Similarity NPC477356
0.6635 Remote Similarity NPC470031
0.6634 Remote Similarity NPC61688
0.6632 Remote Similarity NPC275243
0.6609 Remote Similarity NPC475490
0.6606 Remote Similarity NPC88469
0.6602 Remote Similarity NPC228700
0.6602 Remote Similarity NPC475788
0.6602 Remote Similarity NPC472237
0.6602 Remote Similarity NPC472238
0.66 Remote Similarity NPC202937
0.6593 Remote Similarity NPC311102
0.6574 Remote Similarity NPC105725
0.6574 Remote Similarity NPC470172
0.6566 Remote Similarity NPC473350
0.6566 Remote Similarity NPC51267
0.6562 Remote Similarity NPC117137
0.6562 Remote Similarity NPC66766
0.6556 Remote Similarity NPC98711
0.6556 Remote Similarity NPC475062
0.6552 Remote Similarity NPC199937
0.6549 Remote Similarity NPC472003
0.6545 Remote Similarity NPC54737
0.6535 Remote Similarity NPC191221
0.6535 Remote Similarity NPC470009
0.6531 Remote Similarity NPC472847
0.6531 Remote Similarity NPC259173
0.6531 Remote Similarity NPC69953
0.6526 Remote Similarity NPC475725
0.6518 Remote Similarity NPC227879
0.6518 Remote Similarity NPC208333
0.6514 Remote Similarity NPC107385
0.6514 Remote Similarity NPC473406
0.6514 Remote Similarity NPC123505
0.6509 Remote Similarity NPC111187
0.6509 Remote Similarity NPC471241
0.6509 Remote Similarity NPC236176
0.6509 Remote Similarity NPC190080
0.6509 Remote Similarity NPC471150
0.65 Remote Similarity NPC92139
0.65 Remote Similarity NPC80700
0.65 Remote Similarity NPC469626
0.65 Remote Similarity NPC64862
0.65 Remote Similarity NPC475491
0.65 Remote Similarity NPC243746
0.6481 Remote Similarity NPC478181
0.6481 Remote Similarity NPC162024
0.6476 Remote Similarity NPC287354
0.6476 Remote Similarity NPC62407
0.6471 Remote Similarity NPC200580
0.6465 Remote Similarity NPC115995
0.6455 Remote Similarity NPC327093
0.6455 Remote Similarity NPC100078
0.6455 Remote Similarity NPC470167
0.6449 Remote Similarity NPC470188
0.6449 Remote Similarity NPC477355
0.6444 Remote Similarity NPC319007
0.6436 Remote Similarity NPC263802
0.6429 Remote Similarity NPC317066
0.6422 Remote Similarity NPC471254
0.6422 Remote Similarity NPC78127
0.6422 Remote Similarity NPC471757
0.6422 Remote Similarity NPC213528
0.6422 Remote Similarity NPC244969
0.6422 Remote Similarity NPC478176
0.6421 Remote Similarity NPC70996
0.6421 Remote Similarity NPC474003
0.6415 Remote Similarity NPC142529
0.6415 Remote Similarity NPC126156
0.6415 Remote Similarity NPC91771
0.6413 Remote Similarity NPC470243
0.641 Remote Similarity NPC179429
0.6408 Remote Similarity NPC477442
0.6408 Remote Similarity NPC477433
0.6408 Remote Similarity NPC476296
0.6408 Remote Similarity NPC477444
0.64 Remote Similarity NPC478111
0.6396 Remote Similarity NPC314244
0.6396 Remote Similarity NPC166079
0.6383 Remote Similarity NPC228411
0.6381 Remote Similarity NPC473331
0.6381 Remote Similarity NPC477495

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC474699 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
0.7745 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7745 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7624 Intermediate Similarity NPD1700 Approved
0.625 Remote Similarity NPD6059 Approved
0.625 Remote Similarity NPD6319 Approved
0.625 Remote Similarity NPD6054 Approved
0.621 Remote Similarity NPD7078 Approved
0.6198 Remote Similarity NPD6015 Approved
0.6198 Remote Similarity NPD6016 Approved
0.6161 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6148 Remote Similarity NPD5988 Approved
0.6148 Remote Similarity NPD6370 Approved
0.6048 Remote Similarity NPD7492 Approved
0.6034 Remote Similarity NPD4634 Approved
0.602 Remote Similarity NPD4802 Phase 2
0.602 Remote Similarity NPD4238 Approved
0.6 Remote Similarity NPD6616 Approved
0.5952 Remote Similarity NPD8293 Discontinued
0.5926 Remote Similarity NPD5282 Discontinued
0.5906 Remote Similarity NPD7736 Approved
0.5897 Remote Similarity NPD6371 Approved
0.5862 Remote Similarity NPD7320 Approved
0.5862 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5784 Remote Similarity NPD6435 Approved
0.5781 Remote Similarity NPD6033 Approved
0.5776 Remote Similarity NPD7899 Clinical (unspecified phase)
0.575 Remote Similarity NPD4632 Approved
0.5714 Remote Similarity NPD3703 Phase 2
0.5714 Remote Similarity NPD3702 Approved
0.569 Remote Similarity NPD5739 Approved
0.569 Remote Similarity NPD6402 Approved
0.569 Remote Similarity NPD7128 Approved
0.569 Remote Similarity NPD6675 Approved
0.5684 Remote Similarity NPD3698 Phase 2
0.5678 Remote Similarity NPD6372 Approved
0.5678 Remote Similarity NPD6373 Approved
0.5667 Remote Similarity NPD8297 Approved
0.5641 Remote Similarity NPD5697 Approved
0.5641 Remote Similarity NPD5701 Approved
0.5625 Remote Similarity NPD4244 Approved
0.5625 Remote Similarity NPD4245 Approved
0.5625 Remote Similarity NPD4789 Approved
0.5625 Remote Similarity NPD4755 Approved
0.561 Remote Similarity NPD6009 Approved

Structure

External Identifiers

PubChem CID   10869683
ChEMBL   CHEMBL479523
ZINC  

Physicochemical Properties

Molecular Weight:  280.13
ALogP:  -1.1415
MLogP:  2.56
XLogP:  -0.822
# Rotatable Bonds:  5
Polar Surface Area:  82.59
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  20

Download Data

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Structure MOL file  
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Similar NPs/Drugs