Natural Product: NPC281608

Natural Product ID:  NPC281608
Common Name:   n.a.
IUPAC Name:  
Synonyms:   (-)-Epoxyserinone A
Molecular Formula:   C11H14O5
Standard InCHIKey:  GGPRMSQKBVQHAH-LFRFXUESSA-N
Standard InCHI:  InChI=1S/C11H14O5/c1-6-5-10-9(2,16-10)7(12)4-8(14-3)11(10,13)15-6/h4,6,13H,5H2,1-3H3/t6-,9+,10+,11+/m1/s1
Canonical SMILES:  COC1=CC(=O)[C@]2([C@@]3([C@@]1(O)O[C@@H](C3)C)O2)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
NPO30770 Penicillium sp. Species Aspergillaceae Eukaryota PMID[15043411]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0 Zone units 24913558
NPT137 Cell Line L1210 Mus musculus Activity = 50 Zone units 24913558
NPT730 Cell Line MC-38 Mus musculus Activity = 200 Zone units 24597921
NPT2 Others Unspecified Activity = 0 Zone units 20017491
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 > 10 ug/ml DrugMatrix in vivo data: Hematology

  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 NPC281608 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 NPC475284
0.7544 Intermediate Similarity NPC476107
0.7522 Intermediate Similarity NPC27999
0.7522 Intermediate Similarity NPC477116
0.75 Intermediate Similarity NPC306908
0.7477 Intermediate Similarity NPC474741
0.7429 Intermediate Similarity NPC475949
0.7404 Intermediate Similarity NPC266842
0.7364 Intermediate Similarity NPC101018
0.7358 Intermediate Similarity NPC474339
0.7358 Intermediate Similarity NPC164598
0.7333 Intermediate Similarity NPC300584
0.7311 Intermediate Similarity NPC225049
0.73 Intermediate Similarity NPC87189
0.73 Intermediate Similarity NPC228415
0.7297 Intermediate Similarity NPC99760
0.7264 Intermediate Similarity NPC324667
0.7222 Intermediate Similarity NPC475871
0.7222 Intermediate Similarity NPC475945
0.7217 Intermediate Similarity NPC471146
0.7212 Intermediate Similarity NPC214694
0.7207 Intermediate Similarity NPC471400
0.7207 Intermediate Similarity NPC38154
0.72 Intermediate Similarity NPC300779
0.7196 Intermediate Similarity NPC201718
0.7196 Intermediate Similarity NPC474742
0.7196 Intermediate Similarity NPC476270
0.7182 Intermediate Similarity NPC266514
0.7182 Intermediate Similarity NPC477513
0.717 Intermediate Similarity NPC471144
0.717 Intermediate Similarity NPC470541
0.7168 Intermediate Similarity NPC66108
0.7143 Intermediate Similarity NPC17585
0.7143 Intermediate Similarity NPC89408
0.713 Intermediate Similarity NPC474747
0.713 Intermediate Similarity NPC149371
0.7129 Intermediate Similarity NPC119740
0.7129 Intermediate Similarity NPC472008
0.7129 Intermediate Similarity NPC150063
0.7128 Intermediate Similarity NPC474197
0.7117 Intermediate Similarity NPC14862
0.7117 Intermediate Similarity NPC233379
0.7117 Intermediate Similarity NPC474664
0.7117 Intermediate Similarity NPC327106
0.7103 Intermediate Similarity NPC288876
0.71 Intermediate Similarity NPC478112
0.7091 Intermediate Similarity NPC475802
0.7091 Intermediate Similarity NPC472749
0.7091 Intermediate Similarity NPC9303
0.7091 Intermediate Similarity NPC16313
0.7091 Intermediate Similarity NPC472751
0.7087 Intermediate Similarity NPC146852
0.708 Intermediate Similarity NPC317107
0.7075 Intermediate Similarity NPC218064
0.7075 Intermediate Similarity NPC236176
0.7075 Intermediate Similarity NPC20066
0.7071 Intermediate Similarity NPC32676
0.7071 Intermediate Similarity NPC469809
0.7064 Intermediate Similarity NPC472747
0.7064 Intermediate Similarity NPC472755
0.7064 Intermediate Similarity NPC472750
0.7059 Intermediate Similarity NPC295448
0.7059 Intermediate Similarity NPC478110
0.7054 Intermediate Similarity NPC15218
0.7048 Intermediate Similarity NPC270013
0.7048 Intermediate Similarity NPC14961
0.7048 Intermediate Similarity NPC475659
0.7041 Intermediate Similarity NPC253364
0.7037 Intermediate Similarity NPC472753
0.7037 Intermediate Similarity NPC133907
0.7037 Intermediate Similarity NPC181645
0.7037 Intermediate Similarity NPC47880
0.7037 Intermediate Similarity NPC128733
0.7037 Intermediate Similarity NPC185141
0.7037 Intermediate Similarity NPC46998
0.7037 Intermediate Similarity NPC110443
0.703 Intermediate Similarity NPC23622
0.703 Intermediate Similarity NPC472007
0.7027 Intermediate Similarity NPC324327
0.7027 Intermediate Similarity NPC326994
0.7027 Intermediate Similarity NPC474421
0.7027 Intermediate Similarity NPC72813
0.7027 Intermediate Similarity NPC194620
0.7027 Intermediate Similarity NPC474716
0.7025 Intermediate Similarity NPC217901
0.7019 Intermediate Similarity NPC61275
0.7018 Intermediate Similarity NPC317687
0.7009 Intermediate Similarity NPC108581
0.7009 Intermediate Similarity NPC478206
0.7009 Intermediate Similarity NPC35717
0.7009 Intermediate Similarity NPC478205
0.7009 Intermediate Similarity NPC240509
0.7 Intermediate Similarity NPC68303
0.7 Intermediate Similarity NPC307126
0.7 Intermediate Similarity NPC472748
0.6992 Remote Similarity NPC162495
0.6991 Remote Similarity NPC46407
0.6991 Remote Similarity NPC115257
0.6991 Remote Similarity NPC161816
0.699 Remote Similarity NPC274075
0.699 Remote Similarity NPC473455
0.6981 Remote Similarity NPC279722
0.6981 Remote Similarity NPC473859
0.6981 Remote Similarity NPC477921
0.6979 Remote Similarity NPC475699
0.6975 Remote Similarity NPC102822
0.6975 Remote Similarity NPC477046
0.6972 Remote Similarity NPC39996
0.6972 Remote Similarity NPC472754
0.6972 Remote Similarity NPC471148
0.6967 Remote Similarity NPC168849
0.6967 Remote Similarity NPC475273
0.6964 Remote Similarity NPC55972
0.6964 Remote Similarity NPC169888
0.6964 Remote Similarity NPC327286
0.6961 Remote Similarity NPC153570
0.6952 Remote Similarity NPC303942
0.6952 Remote Similarity NPC57405
0.6952 Remote Similarity NPC81386
0.6952 Remote Similarity NPC474035
0.6949 Remote Similarity NPC268958
0.6944 Remote Similarity NPC477512
0.6942 Remote Similarity NPC473919
0.6942 Remote Similarity NPC24651
0.6942 Remote Similarity NPC473709
0.6942 Remote Similarity NPC476729
0.6942 Remote Similarity NPC470922
0.6939 Remote Similarity NPC221510
0.6939 Remote Similarity NPC67254
0.6939 Remote Similarity NPC159714
0.6937 Remote Similarity NPC469852
0.6937 Remote Similarity NPC314244
0.6935 Remote Similarity NPC251564
0.6935 Remote Similarity NPC475314
0.6935 Remote Similarity NPC477189
0.6935 Remote Similarity NPC475606
0.6931 Remote Similarity NPC196381
0.6931 Remote Similarity NPC278283
0.6931 Remote Similarity NPC472009
0.6923 Remote Similarity NPC478204
0.6923 Remote Similarity NPC20713
0.6923 Remote Similarity NPC476705
0.6923 Remote Similarity NPC469684
0.6923 Remote Similarity NPC473321
0.6923 Remote Similarity NPC471145
0.6917 Remote Similarity NPC312833
0.6909 Remote Similarity NPC475873
0.6909 Remote Similarity NPC104161
0.6909 Remote Similarity NPC320154
0.6909 Remote Similarity NPC469980
0.6909 Remote Similarity NPC118902
0.6907 Remote Similarity NPC473981
0.6907 Remote Similarity NPC473980
0.6907 Remote Similarity NPC291260
0.6903 Remote Similarity NPC77089
0.6903 Remote Similarity NPC475922
0.6897 Remote Similarity NPC261330
0.6893 Remote Similarity NPC87306
0.6893 Remote Similarity NPC78008
0.6891 Remote Similarity NPC112038
0.6887 Remote Similarity NPC477922
0.6887 Remote Similarity NPC471142
0.6881 Remote Similarity NPC84042
0.6881 Remote Similarity NPC207885
0.6881 Remote Similarity NPC477511
0.6881 Remote Similarity NPC264477
0.6881 Remote Similarity NPC305085
0.688 Remote Similarity NPC473485
0.688 Remote Similarity NPC475139
0.688 Remote Similarity NPC180902
0.688 Remote Similarity NPC474508
0.6875 Remote Similarity NPC254538
0.6875 Remote Similarity NPC474285
0.6863 Remote Similarity NPC473248
0.686 Remote Similarity NPC265557
0.686 Remote Similarity NPC67251
0.686 Remote Similarity NPC18945
0.686 Remote Similarity NPC91693
0.686 Remote Similarity NPC105926
0.686 Remote Similarity NPC473802
0.6857 Remote Similarity NPC212486
0.6857 Remote Similarity NPC162205
0.6857 Remote Similarity NPC295204
0.6857 Remote Similarity NPC475912
0.6857 Remote Similarity NPC165383
0.6857 Remote Similarity NPC273579
0.6857 Remote Similarity NPC288240
0.6852 Remote Similarity NPC61630
0.6852 Remote Similarity NPC307517
0.6852 Remote Similarity NPC81483
0.6852 Remote Similarity NPC473326
0.6852 Remote Similarity NPC169468
0.6847 Remote Similarity NPC307846
0.6847 Remote Similarity NPC258532
0.6847 Remote Similarity NPC296950
0.6847 Remote Similarity NPC220964
0.6847 Remote Similarity NPC146731
0.6847 Remote Similarity NPC472756
0.6847 Remote Similarity NPC475676
0.6847 Remote Similarity NPC305157

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC281608 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
0.7143 Intermediate Similarity NPD6110 Phase 1
0.6636 Remote Similarity NPD5282 Discontinued
0.6579 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6509 Remote Similarity NPD46 Approved
0.6509 Remote Similarity NPD6698 Approved
0.641 Remote Similarity NPD6371 Approved
0.6346 Remote Similarity NPD1733 Clinical (unspecified phase)
0.629 Remote Similarity NPD8516 Approved
0.629 Remote Similarity NPD8515 Approved
0.629 Remote Similarity NPD8517 Approved
0.629 Remote Similarity NPD8513 Phase 3
0.6283 Remote Similarity NPD5344 Discontinued
0.6239 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6218 Remote Similarity NPD8413 Clinical (unspecified phase)
0.619 Remote Similarity NPD7642 Approved
0.6186 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6147 Remote Similarity NPD7983 Approved
0.6134 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6126 Remote Similarity NPD1698 Clinical (unspecified phase)
0.608 Remote Similarity NPD6059 Approved
0.608 Remote Similarity NPD6054 Approved
0.6053 Remote Similarity NPD6648 Approved
0.6047 Remote Similarity NPD8074 Phase 3
0.6032 Remote Similarity NPD6016 Approved
0.6032 Remote Similarity NPD6015 Approved
0.5984 Remote Similarity NPD5988 Approved
0.5984 Remote Similarity NPD6370 Approved
0.5981 Remote Similarity NPD4249 Approved
0.5968 Remote Similarity NPD7115 Discovery
0.5965 Remote Similarity NPD4225 Approved
0.5965 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4250 Approved
0.5926 Remote Similarity NPD4251 Approved
0.5909 Remote Similarity NPD7838 Discovery
0.5902 Remote Similarity NPD6053 Discontinued
0.5891 Remote Similarity NPD7492 Approved
0.5882 Remote Similarity NPD7966 Clinical (unspecified phase)
0.5882 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5859 Remote Similarity NPD8080 Discontinued
0.5846 Remote Similarity NPD6616 Approved
0.5833 Remote Similarity NPD6686 Approved
0.5827 Remote Similarity NPD6319 Approved
0.582 Remote Similarity NPD2204 Approved
0.5818 Remote Similarity NPD1695 Approved
0.5814 Remote Similarity NPD7829 Approved
0.5814 Remote Similarity NPD8328 Phase 3
0.5814 Remote Similarity NPD7830 Approved
0.5806 Remote Similarity NPD9120 Clinical (unspecified phase)
0.5804 Remote Similarity NPD5778 Approved
0.5804 Remote Similarity NPD5779 Approved
0.5802 Remote Similarity NPD7078 Approved
0.5802 Remote Similarity NPD8293 Discontinued
0.5766 Remote Similarity NPD5785 Approved
0.5758 Remote Similarity NPD7736 Approved
0.5755 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5728 Remote Similarity NPD4756 Discovery
0.5714 Remote Similarity NPD7319 Approved
0.5691 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5688 Remote Similarity NPD5786 Approved
0.5659 Remote Similarity NPD6921 Approved
0.5659 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5652 Remote Similarity NPD7839 Suspended
0.5639 Remote Similarity NPD6033 Approved
0.562 Remote Similarity NPD6412 Phase 2

Structure

External Identifiers

PubChem CID   11736274
ChEMBL   CHEMBL447804
ZINC  

Physicochemical Properties

Molecular Weight:  226.08
ALogP:  -1.0236
MLogP:  2.12
XLogP:  -0.692
# Rotatable Bonds:  5
Polar Surface Area:  68.29
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  16

Download Data

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