Natural Product: NPC469809

Natural Product ID:  NPC469809
Common Name:   Panepoxydone
IUPAC Name:   (1S,2R,6S)-2-hydroxy-4-[(1S)-1-hydroxy-3-methylbut-2-enyl]-7-oxabicyclo[4.1.0]hept-3-en-5-one
Synonyms:   Panepoxydone
Molecular Formula:   C11H14O4
Standard InCHIKey:  MBXKEYXHJAZKBP-GISOBZBCSA-N
Standard InCHI:  InChI=1S/C11H14O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7-8,10-13H,1-2H3/t7-,8+,10-,11+/m0/s1
Canonical SMILES:  CC(=C[C@@H](C1=C[C@@H](O)[C@H]2[C@@H](C1=O)O2)O)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
NPO10054 Panus conchatus Species Lentinaceae Eukaryota Curr. Org. Chem.,1988,2: 329-364
NPO5647 Panus rudis Species Lentinaceae Eukaryota Curr. Org. Chem.,1988,2: 329-364
NPO24980 Lentinus crinitus Species Lentinaceae Eukaryota Curr. Org. Chem.,1988,2: 329-364
NPO32883 lentinus connatus bcc 8996 Species Lentinaceae Eukaryota PMID[16309322]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 2.9 ug/ml 18950228
NPT639 Cell Line NCI-H187 Homo sapiens IC50 = 0.66 ug/ml 24893224
NPT2 Others Unspecified IC50 = 1.5 ug/ml 15620241
NPT189 Cell Line Vero Chlorocebus aethiops IC50 = 0.9 ug/ml 11459643
NPT485 Organism Plasmodium falciparum (isolate K1 / Thailand) Plasmodium falciparum K1 IC50 = 3.4 ug/ml 23891184
NPT91 Cell Line KB Homo sapiens IC50 = 1.9 ug/ml 23891184

  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 NPC469809 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
0.9615 High Similarity NPC159714
0.9615 High Similarity NPC221510
0.925 High Similarity NPC253364
0.9103 High Similarity NPC272267
0.9012 High Similarity NPC47450
0.8298 Intermediate Similarity NPC39996
0.8211 Intermediate Similarity NPC469980
0.8211 Intermediate Similarity NPC104161
0.8211 Intermediate Similarity NPC118902
0.8 Intermediate Similarity NPC477684
0.7959 Intermediate Similarity NPC266514
0.7955 Intermediate Similarity NPC196381
0.7952 Intermediate Similarity NPC473536
0.7841 Intermediate Similarity NPC77971
0.7841 Intermediate Similarity NPC187529
0.7821 Intermediate Similarity NPC472072
0.7634 Intermediate Similarity NPC327620
0.7629 Intermediate Similarity NPC207885
0.7624 Intermediate Similarity NPC87335
0.759 Intermediate Similarity NPC24590
0.7551 Intermediate Similarity NPC478176
0.7529 Intermediate Similarity NPC47844
0.7529 Intermediate Similarity NPC141195
0.7527 Intermediate Similarity NPC476705
0.75 Intermediate Similarity NPC471916
0.7476 Intermediate Similarity NPC317107
0.7473 Intermediate Similarity NPC472007
0.7449 Intermediate Similarity NPC112613
0.7416 Intermediate Similarity NPC477785
0.7416 Intermediate Similarity NPC477786
0.7416 Intermediate Similarity NPC477784
0.7404 Intermediate Similarity NPC317687
0.7396 Intermediate Similarity NPC279722
0.7381 Intermediate Similarity NPC474545
0.7379 Intermediate Similarity NPC89408
0.7363 Intermediate Similarity NPC472009
0.7353 Intermediate Similarity NPC264819
0.734 Intermediate Similarity NPC327760
0.734 Intermediate Similarity NPC114345
0.734 Intermediate Similarity NPC6099
0.734 Intermediate Similarity NPC303230
0.7333 Intermediate Similarity NPC474251
0.732 Intermediate Similarity NPC20066
0.73 Intermediate Similarity NPC131366
0.7284 Intermediate Similarity NPC251429
0.7273 Intermediate Similarity NPC164598
0.7273 Intermediate Similarity NPC474339
0.7245 Intermediate Similarity NPC306908
0.7245 Intermediate Similarity NPC300584
0.7241 Intermediate Similarity NPC318481
0.7234 Intermediate Similarity NPC471399
0.7229 Intermediate Similarity NPC107848
0.7209 Intermediate Similarity NPC474197
0.7204 Intermediate Similarity NPC472008
0.7204 Intermediate Similarity NPC476707
0.7204 Intermediate Similarity NPC476706
0.7188 Intermediate Similarity NPC121825
0.7184 Intermediate Similarity NPC322903
0.7159 Intermediate Similarity NPC291260
0.7158 Intermediate Similarity NPC475441
0.7158 Intermediate Similarity NPC142838
0.7128 Intermediate Similarity NPC14901
0.7128 Intermediate Similarity NPC130359
0.7126 Intermediate Similarity NPC475711
0.7125 Intermediate Similarity NPC475221
0.7111 Intermediate Similarity NPC475046
0.7111 Intermediate Similarity NPC474959
0.7111 Intermediate Similarity NPC310450
0.7111 Intermediate Similarity NPC11383
0.7097 Intermediate Similarity NPC471738
0.7087 Intermediate Similarity NPC469853
0.7083 Intermediate Similarity NPC469692
0.7083 Intermediate Similarity NPC469645
0.7079 Intermediate Similarity NPC162741
0.7079 Intermediate Similarity NPC91332
0.7071 Intermediate Similarity NPC281608
0.7071 Intermediate Similarity NPC161855
0.7071 Intermediate Similarity NPC475284
0.7065 Intermediate Similarity NPC182383
0.7045 Intermediate Similarity NPC68119
0.7045 Intermediate Similarity NPC13823
0.7041 Intermediate Similarity NPC473291
0.7041 Intermediate Similarity NPC94337
0.7033 Intermediate Similarity NPC229799
0.7033 Intermediate Similarity NPC185256
0.7033 Intermediate Similarity NPC286770
0.7033 Intermediate Similarity NPC284472
0.703 Intermediate Similarity NPC471148
0.7024 Intermediate Similarity NPC202011
0.7021 Intermediate Similarity NPC287089
0.7021 Intermediate Similarity NPC119740
0.7021 Intermediate Similarity NPC150063
0.7011 Intermediate Similarity NPC16279
0.7011 Intermediate Similarity NPC256640
0.7011 Intermediate Similarity NPC205615
0.7 Intermediate Similarity NPC67254
0.7 Intermediate Similarity NPC475949
0.6989 Remote Similarity NPC308412
0.6989 Remote Similarity NPC134807
0.6989 Remote Similarity NPC219498
0.6989 Remote Similarity NPC473687
0.6989 Remote Similarity NPC134885
0.6989 Remote Similarity NPC47937
0.6989 Remote Similarity NPC210218
0.6989 Remote Similarity NPC204686
0.6979 Remote Similarity NPC146852
0.6977 Remote Similarity NPC326504
0.697 Remote Similarity NPC236176
0.6961 Remote Similarity NPC472755
0.6961 Remote Similarity NPC473624
0.6957 Remote Similarity NPC316819
0.6952 Remote Similarity NPC77089
0.6944 Remote Similarity NPC80650
0.6932 Remote Similarity NPC471061
0.6931 Remote Similarity NPC46998
0.6931 Remote Similarity NPC133907
0.6931 Remote Similarity NPC128733
0.6931 Remote Similarity NPC185141
0.6931 Remote Similarity NPC110443
0.6931 Remote Similarity NPC476270
0.6931 Remote Similarity NPC201718
0.6923 Remote Similarity NPC477513
0.6915 Remote Similarity NPC178215
0.6915 Remote Similarity NPC23622
0.6907 Remote Similarity NPC273579
0.6907 Remote Similarity NPC61275
0.6907 Remote Similarity NPC288240
0.6907 Remote Similarity NPC162205
0.6907 Remote Similarity NPC295204
0.6905 Remote Similarity NPC94488
0.69 Remote Similarity NPC35717
0.6897 Remote Similarity NPC473582
0.6893 Remote Similarity NPC474741
0.6889 Remote Similarity NPC470947
0.6889 Remote Similarity NPC470945
0.6889 Remote Similarity NPC470946
0.6887 Remote Similarity NPC161816
0.6887 Remote Similarity NPC115257
0.6882 Remote Similarity NPC473651
0.6882 Remote Similarity NPC223871
0.6882 Remote Similarity NPC307126
0.6882 Remote Similarity NPC110710
0.6882 Remote Similarity NPC231009
0.6882 Remote Similarity NPC68303
0.6882 Remote Similarity NPC66346
0.6882 Remote Similarity NPC283085
0.6882 Remote Similarity NPC286338
0.6882 Remote Similarity NPC1083
0.6882 Remote Similarity NPC132496
0.6882 Remote Similarity NPC103284
0.6882 Remote Similarity NPC473478
0.6882 Remote Similarity NPC82795
0.6882 Remote Similarity NPC107986
0.6882 Remote Similarity NPC473669
0.6875 Remote Similarity NPC469464
0.6875 Remote Similarity NPC274075
0.6857 Remote Similarity NPC14862
0.6857 Remote Similarity NPC233379
0.6857 Remote Similarity NPC474664
0.6854 Remote Similarity NPC248775
0.6854 Remote Similarity NPC478122
0.6854 Remote Similarity NPC231739
0.6842 Remote Similarity NPC48338
0.6842 Remote Similarity NPC40376
0.6842 Remote Similarity NPC21208
0.6842 Remote Similarity NPC87189
0.6842 Remote Similarity NPC20339
0.6842 Remote Similarity NPC228415
0.6842 Remote Similarity NPC233551
0.6842 Remote Similarity NPC280621
0.6837 Remote Similarity NPC217624
0.6837 Remote Similarity NPC181393
0.6832 Remote Similarity NPC324667
0.6832 Remote Similarity NPC288876
0.6827 Remote Similarity NPC469852
0.6827 Remote Similarity NPC314244
0.6822 Remote Similarity NPC476023
0.6818 Remote Similarity NPC27999
0.6818 Remote Similarity NPC301207
0.6818 Remote Similarity NPC49392
0.6818 Remote Similarity NPC477116
0.6818 Remote Similarity NPC477708
0.6818 Remote Similarity NPC190400
0.6813 Remote Similarity NPC280367
0.6813 Remote Similarity NPC150502
0.6813 Remote Similarity NPC297440
0.6809 Remote Similarity NPC114694
0.6809 Remote Similarity NPC475581
0.6809 Remote Similarity NPC103523
0.6809 Remote Similarity NPC112685
0.6809 Remote Similarity NPC142117
0.6809 Remote Similarity NPC171174
0.6809 Remote Similarity NPC240695
0.6809 Remote Similarity NPC279267
0.6809 Remote Similarity NPC232555
0.6809 Remote Similarity NPC62118
0.6809 Remote Similarity NPC69082
0.6809 Remote Similarity NPC477015
0.6809 Remote Similarity NPC231096
0.6809 Remote Similarity NPC107717

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469809 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
0.7033 Intermediate Similarity NPD6110 Phase 1
0.6875 Remote Similarity NPD46 Approved
0.6875 Remote Similarity NPD6698 Approved
0.6742 Remote Similarity NPD4756 Discovery
0.6569 Remote Similarity NPD4225 Approved
0.6548 Remote Similarity NPD3704 Approved
0.6531 Remote Similarity NPD7838 Discovery
0.6465 Remote Similarity NPD7983 Approved
0.6444 Remote Similarity NPD819 Approved
0.6444 Remote Similarity NPD818 Approved
0.6442 Remote Similarity NPD5344 Discontinued
0.6422 Remote Similarity NPD6371 Approved
0.6386 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6372 Remote Similarity NPD7115 Discovery
0.6354 Remote Similarity NPD1696 Phase 3
0.6337 Remote Similarity NPD5282 Discontinued
0.6296 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6238 Remote Similarity NPD5778 Approved
0.6238 Remote Similarity NPD5779 Approved
0.6163 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6095 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6071 Remote Similarity NPD7601 Clinical (unspecified phase)
0.6068 Remote Similarity NPD6319 Approved
0.6038 Remote Similarity NPD6648 Approved
0.602 Remote Similarity NPD5363 Approved
0.6 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5982 Remote Similarity NPD4634 Approved
0.5962 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5932 Remote Similarity NPD6054 Approved
0.5917 Remote Similarity NPD8328 Phase 3
0.5882 Remote Similarity NPD6016 Approved
0.5882 Remote Similarity NPD6015 Approved
0.5882 Remote Similarity NPD5785 Approved
0.5859 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5833 Remote Similarity NPD5988 Approved
0.5833 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5833 Remote Similarity NPD6370 Approved
0.58 Remote Similarity NPD4249 Approved
0.5798 Remote Similarity NPD6059 Approved
0.5789 Remote Similarity NPD8413 Clinical (unspecified phase)
0.578 Remote Similarity NPD5211 Phase 2
0.5765 Remote Similarity NPD9120 Clinical (unspecified phase)
0.5755 Remote Similarity NPD7839 Suspended
0.5752 Remote Similarity NPD4061 Clinical (unspecified phase)
0.575 Remote Similarity NPD8515 Approved
0.575 Remote Similarity NPD8517 Approved
0.575 Remote Similarity NPD8513 Phase 3
0.575 Remote Similarity NPD8516 Approved
0.5747 Remote Similarity NPD3197 Phase 1
0.5743 Remote Similarity NPD4251 Approved
0.5743 Remote Similarity NPD4250 Approved
0.5739 Remote Similarity NPD8297 Approved
0.5738 Remote Similarity NPD7492 Approved
0.5714 Remote Similarity NPD585 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4269 Approved
0.5714 Remote Similarity NPD5697 Approved
0.5714 Remote Similarity NPD4270 Approved
0.5691 Remote Similarity NPD6616 Approved
0.569 Remote Similarity NPD4632 Approved
0.5676 Remote Similarity NPD5141 Approved
0.5673 Remote Similarity NPD7637 Suspended
0.567 Remote Similarity NPD4252 Approved
0.5664 Remote Similarity NPD6686 Approved
0.5664 Remote Similarity NPD6881 Approved
0.5664 Remote Similarity NPD6899 Approved
0.5657 Remote Similarity NPD7154 Phase 3
0.5656 Remote Similarity NPD7642 Approved
0.5652 Remote Similarity NPD6649 Approved
0.5652 Remote Similarity NPD6650 Approved
0.5645 Remote Similarity NPD7078 Approved
0.5644 Remote Similarity NPD5786 Approved
0.5631 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5631 Remote Similarity NPD6101 Approved
0.5625 Remote Similarity NPD5739 Approved
0.5625 Remote Similarity NPD6402 Approved
0.5625 Remote Similarity NPD4268 Approved
0.5625 Remote Similarity NPD6675 Approved
0.5625 Remote Similarity NPD4271 Approved
0.5625 Remote Similarity NPD7128 Approved
0.5614 Remote Similarity NPD6014 Approved
0.5614 Remote Similarity NPD6373 Approved
0.5614 Remote Similarity NPD6372 Approved
0.5614 Remote Similarity NPD6012 Approved
0.5614 Remote Similarity NPD6013 Approved
0.56 Remote Similarity NPD7736 Approved

Structure

External Identifiers

PubChem CID   11148494
ChEMBL   CHEMBL119445
ZINC  

Physicochemical Properties

Molecular Weight:  210.09
ALogP:  0.1816
MLogP:  2.23
XLogP:  -0.306
# Rotatable Bonds:  6
Polar Surface Area:  70.06
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  15

Download Data

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