Natural Product: NPC476107

Natural Product ID:  NPC476107
Common Name:   Malettinin D
IUPAC Name:  
Synonyms:   Malettinin D
Molecular Formula:   C15H14O7
Standard InCHIKey:  NXSJMBWUYLXNQM-PUPMMZHASA-N
Standard InCHI:  InChI=1S/C15H14O7/c1-7-6-20-13(11(7)17)3-4-14-8(2)5-9(16)21-15(14,19)10(13)12(18)22-14/h5-6,10,19H,3-4H2,1-2H3/t10-,13+,14-,15-/m0/s1
Canonical SMILES:  O=C1C=C(C)[C@]23[C@](O1)(O)[C@@H](C(=O)O3)[C@@]1(CC2)OC=C(C1=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
NPO33490 hypoxylon stromata nrrl 29110 Species Xylariaceae Eukaryota PMID[15730245]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 14 mm 8410985
NPT16 Organism Staphylococcus aureus Staphylococcus aureus IZ = 10 mm 8410985

  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 NPC476107 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
0.8407 Intermediate Similarity NPC29827
0.8279 Intermediate Similarity NPC24651
0.8175 Intermediate Similarity NPC475139
0.8175 Intermediate Similarity NPC180902
0.8145 Intermediate Similarity NPC476008
0.813 Intermediate Similarity NPC470922
0.8115 Intermediate Similarity NPC312833
0.8067 Intermediate Similarity NPC207217
0.8065 Intermediate Similarity NPC217901
0.8065 Intermediate Similarity NPC477745
0.8049 Intermediate Similarity NPC91693
0.8049 Intermediate Similarity NPC265557
0.8049 Intermediate Similarity NPC105926
0.8049 Intermediate Similarity NPC18945
0.8047 Intermediate Similarity NPC475154
0.8047 Intermediate Similarity NPC471137
0.8047 Intermediate Similarity NPC473548
0.8047 Intermediate Similarity NPC475500
0.8047 Intermediate Similarity NPC223356
0.8047 Intermediate Similarity NPC471136
0.8047 Intermediate Similarity NPC100017
0.8047 Intermediate Similarity NPC182266
0.8016 Intermediate Similarity NPC162495
0.8 Intermediate Similarity NPC477116
0.8 Intermediate Similarity NPC475273
0.8 Intermediate Similarity NPC27999
0.8 Intermediate Similarity NPC168849
0.8 Intermediate Similarity NPC596
0.7984 Intermediate Similarity NPC476729
0.7969 Intermediate Similarity NPC168879
0.7953 Intermediate Similarity NPC251564
0.7953 Intermediate Similarity NPC475606
0.7953 Intermediate Similarity NPC477189
0.7953 Intermediate Similarity NPC475314
0.7953 Intermediate Similarity NPC476852
0.7951 Intermediate Similarity NPC107338
0.7951 Intermediate Similarity NPC109607
0.7951 Intermediate Similarity NPC472004
0.7951 Intermediate Similarity NPC112038
0.7934 Intermediate Similarity NPC204552
0.7934 Intermediate Similarity NPC188667
0.7923 Intermediate Similarity NPC471089
0.7923 Intermediate Similarity NPC68282
0.7923 Intermediate Similarity NPC190065
0.7923 Intermediate Similarity NPC141215
0.792 Intermediate Similarity NPC225049
0.7917 Intermediate Similarity NPC478216
0.7917 Intermediate Similarity NPC471816
0.7917 Intermediate Similarity NPC270478
0.7903 Intermediate Similarity NPC473802
0.7903 Intermediate Similarity NPC67251
0.7899 Intermediate Similarity NPC478212
0.7899 Intermediate Similarity NPC477126
0.7891 Intermediate Similarity NPC473485
0.7891 Intermediate Similarity NPC474508
0.7886 Intermediate Similarity NPC102822
0.7886 Intermediate Similarity NPC470779
0.7886 Intermediate Similarity NPC477046
0.7874 Intermediate Similarity NPC476851
0.7869 Intermediate Similarity NPC469488
0.7869 Intermediate Similarity NPC268958
0.7869 Intermediate Similarity NPC470777
0.7869 Intermediate Similarity NPC475775
0.7869 Intermediate Similarity NPC476529
0.7863 Intermediate Similarity NPC140045
0.7863 Intermediate Similarity NPC38154
0.7863 Intermediate Similarity NPC295885
0.7851 Intermediate Similarity NPC122033
0.7851 Intermediate Similarity NPC287343
0.7851 Intermediate Similarity NPC13713
0.7851 Intermediate Similarity NPC53396
0.7851 Intermediate Similarity NPC474654
0.7851 Intermediate Similarity NPC478204
0.7851 Intermediate Similarity NPC469684
0.7851 Intermediate Similarity NPC58662
0.7851 Intermediate Similarity NPC470854
0.7851 Intermediate Similarity NPC98249
0.7851 Intermediate Similarity NPC97908
0.7846 Intermediate Similarity NPC262813
0.7845 Intermediate Similarity NPC474716
0.784 Intermediate Similarity NPC473919
0.784 Intermediate Similarity NPC473709
0.7833 Intermediate Similarity NPC117712
0.7815 Intermediate Similarity NPC269530
0.7815 Intermediate Similarity NPC472002
0.7812 Intermediate Similarity NPC475389
0.7812 Intermediate Similarity NPC473838
0.7797 Intermediate Similarity NPC99760
0.7797 Intermediate Similarity NPC5103
0.7795 Intermediate Similarity NPC476859
0.7787 Intermediate Similarity NPC284707
0.7787 Intermediate Similarity NPC297179
0.7787 Intermediate Similarity NPC251310
0.7787 Intermediate Similarity NPC17772
0.7787 Intermediate Similarity NPC478206
0.7787 Intermediate Similarity NPC240509
0.7787 Intermediate Similarity NPC108581
0.7787 Intermediate Similarity NPC478205
0.7786 Intermediate Similarity NPC251998
0.7778 Intermediate Similarity NPC471939
0.7769 Intermediate Similarity NPC477509
0.776 Intermediate Similarity NPC472399
0.776 Intermediate Similarity NPC120724
0.7759 Intermediate Similarity NPC472645
0.7752 Intermediate Similarity NPC102316
0.7752 Intermediate Similarity NPC476193
0.7742 Intermediate Similarity NPC472000
0.7742 Intermediate Similarity NPC471999
0.7734 Intermediate Similarity NPC231529
0.7731 Intermediate Similarity NPC304180
0.7731 Intermediate Similarity NPC179798
0.7731 Intermediate Similarity NPC469656
0.7731 Intermediate Similarity NPC474846
0.7731 Intermediate Similarity NPC469655
0.7724 Intermediate Similarity NPC19028
0.7724 Intermediate Similarity NPC9674
0.7719 Intermediate Similarity NPC305085
0.7719 Intermediate Similarity NPC84042
0.7717 Intermediate Similarity NPC471940
0.7717 Intermediate Similarity NPC470780
0.7712 Intermediate Similarity NPC101018
0.7705 Intermediate Similarity NPC176513
0.7705 Intermediate Similarity NPC470775
0.7705 Intermediate Similarity NPC473590
0.7686 Intermediate Similarity NPC299849
0.768 Intermediate Similarity NPC287236
0.768 Intermediate Similarity NPC170538
0.7674 Intermediate Similarity NPC476855
0.7674 Intermediate Similarity NPC476862
0.7674 Intermediate Similarity NPC476863
0.7672 Intermediate Similarity NPC296950
0.7672 Intermediate Similarity NPC146731
0.7672 Intermediate Similarity NPC258532
0.7661 Intermediate Similarity NPC317635
0.7661 Intermediate Similarity NPC478051
0.7661 Intermediate Similarity NPC329008
0.7656 Intermediate Similarity NPC476078
0.7656 Intermediate Similarity NPC270109
0.7656 Intermediate Similarity NPC476091
0.7652 Intermediate Similarity NPC58329
0.7647 Intermediate Similarity NPC474567
0.7647 Intermediate Similarity NPC478209
0.7647 Intermediate Similarity NPC253906
0.7647 Intermediate Similarity NPC472666
0.7647 Intermediate Similarity NPC235014
0.7642 Intermediate Similarity NPC470776
0.7638 Intermediate Similarity NPC473635
0.7638 Intermediate Similarity NPC181999
0.7638 Intermediate Similarity NPC293112
0.7634 Intermediate Similarity NPC471234
0.7632 Intermediate Similarity NPC469551
0.7627 Intermediate Similarity NPC192813
0.7627 Intermediate Similarity NPC277017
0.7627 Intermediate Similarity NPC154608
0.7623 Intermediate Similarity NPC138372
0.7623 Intermediate Similarity NPC251236
0.7623 Intermediate Similarity NPC106228
0.7623 Intermediate Similarity NPC152199
0.7623 Intermediate Similarity NPC328374
0.7623 Intermediate Similarity NPC134869
0.7623 Intermediate Similarity NPC179626
0.7623 Intermediate Similarity NPC190185
0.7623 Intermediate Similarity NPC40632
0.7623 Intermediate Similarity NPC96312
0.7623 Intermediate Similarity NPC235539
0.7623 Intermediate Similarity NPC213084
0.7619 Intermediate Similarity NPC471392
0.7619 Intermediate Similarity NPC11895
0.7619 Intermediate Similarity NPC469352
0.7603 Intermediate Similarity NPC7921
0.7603 Intermediate Similarity NPC469463
0.7603 Intermediate Similarity NPC51978
0.7603 Intermediate Similarity NPC208998
0.7603 Intermediate Similarity NPC471204
0.7603 Intermediate Similarity NPC33360
0.7603 Intermediate Similarity NPC94509
0.7603 Intermediate Similarity NPC470120
0.7603 Intermediate Similarity NPC469496
0.7603 Intermediate Similarity NPC198539
0.7603 Intermediate Similarity NPC56448
0.7603 Intermediate Similarity NPC49451
0.7603 Intermediate Similarity NPC321496
0.7603 Intermediate Similarity NPC469454
0.76 Intermediate Similarity NPC472001
0.76 Intermediate Similarity NPC472401
0.7597 Intermediate Similarity NPC264192
0.7597 Intermediate Similarity NPC476854
0.7586 Intermediate Similarity NPC320154
0.7586 Intermediate Similarity NPC72842
0.7586 Intermediate Similarity NPC475945
0.7586 Intermediate Similarity NPC475871
0.7586 Intermediate Similarity NPC99510
0.7583 Intermediate Similarity NPC247031
0.7583 Intermediate Similarity NPC317107
0.7583 Intermediate Similarity NPC171888
0.7583 Intermediate Similarity NPC201992
0.7583 Intermediate Similarity NPC146945
0.7583 Intermediate Similarity NPC97939
0.7583 Intermediate Similarity NPC132790
0.7583 Intermediate Similarity NPC100329

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476107 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
0.7333 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD7492 Approved
0.7244 Intermediate Similarity NPD6054 Approved
0.7231 Intermediate Similarity NPD6616 Approved
0.7213 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD7319 Approved
0.7188 Intermediate Similarity NPD6016 Approved
0.7188 Intermediate Similarity NPD6015 Approved
0.7176 Intermediate Similarity NPD7078 Approved
0.7132 Intermediate Similarity NPD5988 Approved
0.7132 Intermediate Similarity NPD6370 Approved
0.7131 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD7736 Approved
0.7109 Intermediate Similarity NPD6059 Approved
0.7109 Intermediate Similarity NPD6319 Approved
0.7107 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD4225 Approved
0.7045 Intermediate Similarity NPD8293 Discontinued
0.7008 Intermediate Similarity NPD7115 Discovery
0.697 Remote Similarity NPD7507 Approved
0.6967 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6947 Remote Similarity NPD8328 Phase 3
0.6923 Remote Similarity NPD8513 Phase 3
0.6911 Remote Similarity NPD6686 Approved
0.6875 Remote Similarity NPD6009 Approved
0.6833 Remote Similarity NPD5344 Discontinued
0.6825 Remote Similarity NPD6053 Discontinued
0.6794 Remote Similarity NPD8517 Approved
0.6794 Remote Similarity NPD8515 Approved
0.6794 Remote Similarity NPD8516 Approved
0.6772 Remote Similarity NPD4632 Approved
0.6769 Remote Similarity NPD7516 Approved
0.6752 Remote Similarity NPD5282 Discontinued
0.6746 Remote Similarity NPD6649 Approved
0.6746 Remote Similarity NPD6650 Approved
0.672 Remote Similarity NPD6372 Approved
0.672 Remote Similarity NPD6373 Approved
0.6695 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5697 Approved
0.6693 Remote Similarity NPD6882 Approved
0.6693 Remote Similarity NPD8297 Approved
0.6692 Remote Similarity NPD7328 Approved
0.6692 Remote Similarity NPD7327 Approved
0.6667 Remote Similarity NPD6921 Approved
0.664 Remote Similarity NPD6899 Approved
0.664 Remote Similarity NPD6881 Approved
0.664 Remote Similarity NPD7320 Approved
0.6618 Remote Similarity NPD6033 Approved
0.6615 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6614 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6613 Remote Similarity NPD6008 Approved
0.6613 Remote Similarity NPD6675 Approved
0.6613 Remote Similarity NPD7128 Approved
0.6613 Remote Similarity NPD6402 Approved
0.6613 Remote Similarity NPD5739 Approved
0.6612 Remote Similarity NPD6648 Approved
0.6596 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6587 Remote Similarity NPD6013 Approved
0.6587 Remote Similarity NPD6014 Approved
0.6587 Remote Similarity NPD6012 Approved
0.656 Remote Similarity NPD5701 Approved
0.6544 Remote Similarity NPD8074 Phase 3
0.6541 Remote Similarity NPD5983 Phase 2
0.6535 Remote Similarity NPD7102 Approved
0.6535 Remote Similarity NPD6883 Approved
0.6535 Remote Similarity NPD6371 Approved
0.6535 Remote Similarity NPD4634 Approved
0.6535 Remote Similarity NPD7290 Approved
0.6508 Remote Similarity NPD6011 Approved
0.6484 Remote Similarity NPD6617 Approved
0.6484 Remote Similarity NPD8130 Phase 1
0.6484 Remote Similarity NPD6847 Approved
0.6484 Remote Similarity NPD6869 Approved
0.6444 Remote Similarity NPD7604 Phase 2
0.6423 Remote Similarity NPD1700 Approved
0.6418 Remote Similarity NPD8379 Approved
0.6418 Remote Similarity NPD8296 Approved
0.6418 Remote Similarity NPD8335 Approved
0.6418 Remote Similarity NPD7503 Approved
0.6418 Remote Similarity NPD8380 Approved
0.6418 Remote Similarity NPD8378 Approved
0.6418 Remote Similarity NPD8033 Approved
0.6393 Remote Similarity NPD7638 Approved
0.6357 Remote Similarity NPD7260 Phase 2
0.6356 Remote Similarity NPD6698 Approved
0.6356 Remote Similarity NPD46 Approved
0.635 Remote Similarity NPD6336 Discontinued
0.6348 Remote Similarity NPD1694 Approved
0.6348 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6343 Remote Similarity NPD8377 Approved
0.6343 Remote Similarity NPD8294 Approved
0.6341 Remote Similarity NPD7639 Approved
0.6341 Remote Similarity NPD7640 Approved
0.6328 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6312 Remote Similarity NPD6845 Suspended
0.6288 Remote Similarity NPD6274 Approved
0.6281 Remote Similarity NPD5695 Phase 3
0.626 Remote Similarity NPD5696 Approved
0.626 Remote Similarity NPD8029 Clinical (unspecified phase)
0.625 Remote Similarity NPD8080 Discontinued
0.625 Remote Similarity NPD5779 Approved
0.625 Remote Similarity NPD5778 Approved
0.624 Remote Similarity NPD5211 Phase 2
0.6231 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6228 Remote Similarity NPD4752 Clinical (unspecified phase)
0.621 Remote Similarity NPD5285 Approved
0.621 Remote Similarity NPD4696 Approved
0.621 Remote Similarity NPD5286 Approved
0.6179 Remote Similarity NPD6084 Phase 2
0.6179 Remote Similarity NPD4755 Approved
0.6179 Remote Similarity NPD6083 Phase 2
0.6179 Remote Similarity NPD7902 Approved
0.6176 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6172 Remote Similarity NPD6412 Phase 2
0.617 Remote Similarity NPD5956 Approved
0.6167 Remote Similarity NPD7983 Approved
0.6148 Remote Similarity NPD7100 Approved
0.6148 Remote Similarity NPD7101 Approved
0.6142 Remote Similarity NPD5141 Approved
0.6134 Remote Similarity NPD1695 Approved
0.6119 Remote Similarity NPD6317 Approved
0.6116 Remote Similarity NPD6399 Phase 3
0.6111 Remote Similarity NPD5224 Approved
0.6111 Remote Similarity NPD5225 Approved
0.6111 Remote Similarity NPD4633 Approved
0.6111 Remote Similarity NPD5226 Approved
0.6098 Remote Similarity NPD4697 Phase 3
0.608 Remote Similarity NPD4700 Approved
0.6074 Remote Similarity NPD6335 Approved
0.6074 Remote Similarity NPD6313 Approved
0.6074 Remote Similarity NPD6314 Approved
0.6069 Remote Similarity NPD8387 Clinical (unspecified phase)
0.6063 Remote Similarity NPD5174 Approved
0.6063 Remote Similarity NPD5175 Approved
0.6059 Remote Similarity NPD8407 Phase 2
0.6058 Remote Similarity NPD8274 Clinical (unspecified phase)
0.6034 Remote Similarity NPD6110 Phase 1
0.6033 Remote Similarity NPD5693 Phase 1
0.6032 Remote Similarity NPD5223 Approved
0.6023 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6015 Remote Similarity NPD8133 Approved
0.6 Remote Similarity NPD8415 Approved
0.5988 Remote Similarity NPD8434 Phase 2
0.5986 Remote Similarity NPD6334 Approved
0.5986 Remote Similarity NPD6333 Approved
0.5976 Remote Similarity NPD8368 Discontinued
0.5971 Remote Similarity NPD7642 Approved
0.5968 Remote Similarity NPD5221 Approved
0.5968 Remote Similarity NPD5222 Approved
0.5968 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5966 Remote Similarity NPD3573 Approved
0.595 Remote Similarity NPD7838 Discovery
0.5948 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5942 Remote Similarity NPD6908 Approved
0.5942 Remote Similarity NPD6909 Approved
0.5935 Remote Similarity NPD7900 Approved
0.5935 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5935 Remote Similarity NPD7748 Approved
0.5928 Remote Similarity NPD7799 Discontinued
0.5926 Remote Similarity NPD6868 Approved
0.592 Remote Similarity NPD5173 Approved
0.5917 Remote Similarity NPD5737 Approved
0.5917 Remote Similarity NPD6672 Approved
0.5887 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5882 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5878 Remote Similarity NPD5128 Approved
0.5878 Remote Similarity NPD4730 Approved
0.5878 Remote Similarity NPD4729 Approved
0.5868 Remote Similarity NPD6101 Approved
0.5868 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5862 Remote Similarity NPD8338 Approved
0.5859 Remote Similarity NPD7632 Discontinued
0.5857 Remote Similarity NPD7829 Approved
0.5857 Remote Similarity NPD7830 Approved
0.5857 Remote Similarity NPD6067 Discontinued
0.5846 Remote Similarity NPD4768 Approved
0.5846 Remote Similarity NPD4767 Approved
0.582 Remote Similarity NPD5785 Approved
0.582 Remote Similarity NPD3168 Discontinued
0.5814 Remote Similarity NPD4754 Approved
0.5789 Remote Similarity NPD5248 Approved
0.5789 Remote Similarity NPD5247 Approved
0.5789 Remote Similarity NPD5249 Phase 3
0.5789 Remote Similarity NPD5251 Approved
0.5789 Remote Similarity NPD5250 Approved
0.5776 Remote Similarity NPD4695 Discontinued
0.5775 Remote Similarity NPD8451 Approved
0.5772 Remote Similarity NPD6411 Approved
0.5772 Remote Similarity NPD7515 Phase 2
0.5772 Remote Similarity NPD6079 Approved
0.5766 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5763 Remote Similarity NPD7879 Clinical (unspecified phase)
0.576 Remote Similarity NPD4629 Approved
0.576 Remote Similarity NPD5210 Approved
0.575 Remote Similarity NPD3618 Phase 1
0.575 Remote Similarity NPD5786 Approved
0.575 Remote Similarity NPD4249 Approved
0.5746 Remote Similarity NPD5215 Approved
0.5746 Remote Similarity NPD5216 Approved
0.5746 Remote Similarity NPD5217 Approved

Structure

External Identifiers

PubChem CID   44583904
ChEMBL   CHEMBL526826
ZINC  

Physicochemical Properties

Molecular Weight:  306.07
ALogP:  -0.043
MLogP:  2.34
XLogP:  -0.884
# Rotatable Bonds:  3
Polar Surface Area:  99.13
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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