Natural Product: NPC67951

Natural Product ID:  NPC67951
Common Name:   Interfungin C
IUPAC Name:   methyl (Z)-3-(3,4-dihydroxyphenyl)-2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]prop-2-enoate
Synonyms:   Interfungin C
Molecular Formula:   C23H18O9
Standard InCHIKey:  KSCNEEIWGUYULB-GMKMYQCMSA-N
Standard InCHI:  InChI=1S/C23H18O9/c1-31-22(29)15(8-13-4-7-17(25)19(27)10-13)21-20(28)11-14(32-23(21)30)5-2-12-3-6-16(24)18(26)9-12/h2-11,24-28H,1H3/b5-2+,15-8-
Canonical SMILES:  COC(=O)/C(=Cc1ccc(c(c1)O)O)/c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O
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
NPO33400 Inonotus Genus Hymenochaetaceae Eukaryota PMID[17387019]
NPO32552 Phellinus Genus Hymenochaetaceae Eukaryota PMID[17387019]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity IC50 = 3700 nM 10.1016/0960-894X(96)00230-2
NPT2 Others Unspecified IC50 = 3100 nM 21067922
NPT2 Others Unspecified IC50 = 11100 nM 11277757

  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 NPC67951 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
0.9916 High Similarity NPC118584
0.9831 High Similarity NPC285345
0.9667 High Similarity NPC197832
0.9664 High Similarity NPC306100
0.9355 High Similarity NPC477300
0.8976 High Similarity NPC329344
0.8976 High Similarity NPC32626
0.8976 High Similarity NPC217052
0.8976 High Similarity NPC285361
0.8976 High Similarity NPC237506
0.8968 High Similarity NPC46192
0.8934 High Similarity NPC470848
0.8934 High Similarity NPC470849
0.8926 High Similarity NPC141791
0.8926 High Similarity NPC263386
0.8923 High Similarity NPC311742
0.8923 High Similarity NPC477301
0.8898 High Similarity NPC64111
0.8898 High Similarity NPC208536
0.8843 High Similarity NPC275519
0.8833 High Similarity NPC281277
0.8824 High Similarity NPC328593
0.8824 High Similarity NPC261453
0.8824 High Similarity NPC33749
0.8819 High Similarity NPC167463
0.8814 High Similarity NPC131530
0.88 High Similarity NPC246704
0.877 High Similarity NPC241634
0.875 High Similarity NPC474967
0.875 High Similarity NPC233669
0.8739 High Similarity NPC95381
0.873 High Similarity NPC289459
0.8729 High Similarity NPC226250
0.872 High Similarity NPC212541
0.871 High Similarity NPC147654
0.8689 High Similarity NPC309434
0.8689 High Similarity NPC203124
0.8661 High Similarity NPC120225
0.8661 High Similarity NPC213552
0.8629 High Similarity NPC471877
0.8605 High Similarity NPC83062
0.8603 High Similarity NPC285550
0.8583 High Similarity NPC132921
0.8571 High Similarity NPC106659
0.8571 High Similarity NPC160900
0.8571 High Similarity NPC18984
0.8571 High Similarity NPC229084
0.8561 High Similarity NPC106406
0.8548 High Similarity NPC2058
0.854 High Similarity NPC183824
0.8527 High Similarity NPC110313
0.8519 High Similarity NPC471875
0.8516 High Similarity NPC276014
0.8516 High Similarity NPC251407
0.8516 High Similarity NPC475695
0.8516 High Similarity NPC168653
0.8512 High Similarity NPC217472
0.8507 High Similarity NPC279676
0.8507 High Similarity NPC67349
0.8504 High Similarity NPC288945
0.85 High Similarity NPC51698
0.8496 Intermediate Similarity NPC476870
0.8485 Intermediate Similarity NPC155209
0.8485 Intermediate Similarity NPC168799
0.848 Intermediate Similarity NPC269843
0.848 Intermediate Similarity NPC14007
0.848 Intermediate Similarity NPC60962
0.848 Intermediate Similarity NPC204466
0.848 Intermediate Similarity NPC109083
0.848 Intermediate Similarity NPC189844
0.848 Intermediate Similarity NPC224814
0.8473 Intermediate Similarity NPC318799
0.8468 Intermediate Similarity NPC70084
0.8456 Intermediate Similarity NPC9218
0.8455 Intermediate Similarity NPC145023
0.8455 Intermediate Similarity NPC175799
0.8455 Intermediate Similarity NPC610
0.8455 Intermediate Similarity NPC200988
0.8455 Intermediate Similarity NPC65791
0.8433 Intermediate Similarity NPC120852
0.8433 Intermediate Similarity NPC90431
0.8421 Intermediate Similarity NPC135127
0.8413 Intermediate Similarity NPC70752
0.8409 Intermediate Similarity NPC25581
0.8409 Intermediate Similarity NPC61
0.8409 Intermediate Similarity NPC18074
0.8409 Intermediate Similarity NPC5419
0.84 Intermediate Similarity NPC202474
0.8387 Intermediate Similarity NPC164706
0.8387 Intermediate Similarity NPC137537
0.8387 Intermediate Similarity NPC272471
0.8387 Intermediate Similarity NPC86198
0.8387 Intermediate Similarity NPC70744
0.8387 Intermediate Similarity NPC107588
0.8385 Intermediate Similarity NPC478215
0.8382 Intermediate Similarity NPC179505
0.8382 Intermediate Similarity NPC156709
0.8382 Intermediate Similarity NPC191280
0.8359 Intermediate Similarity NPC60517
0.8359 Intermediate Similarity NPC146886
0.8359 Intermediate Similarity NPC20443
0.8346 Intermediate Similarity NPC286573
0.8345 Intermediate Similarity NPC258671
0.8345 Intermediate Similarity NPC53884
0.8333 Intermediate Similarity NPC277315
0.8333 Intermediate Similarity NPC258469
0.8333 Intermediate Similarity NPC43158
0.8333 Intermediate Similarity NPC198388
0.8333 Intermediate Similarity NPC472016
0.8333 Intermediate Similarity NPC192831
0.8321 Intermediate Similarity NPC94810
0.832 Intermediate Similarity NPC109371
0.832 Intermediate Similarity NPC470214
0.832 Intermediate Similarity NPC470215
0.8308 Intermediate Similarity NPC276466
0.8308 Intermediate Similarity NPC123722
0.8308 Intermediate Similarity NPC151167
0.8308 Intermediate Similarity NPC5018
0.8308 Intermediate Similarity NPC123228
0.8305 Intermediate Similarity NPC294902
0.8305 Intermediate Similarity NPC1075
0.8305 Intermediate Similarity NPC1786
0.8298 Intermediate Similarity NPC1580
0.8284 Intermediate Similarity NPC287597
0.8284 Intermediate Similarity NPC34293
0.8284 Intermediate Similarity NPC886
0.8273 Intermediate Similarity NPC304956
0.8271 Intermediate Similarity NPC473285
0.8268 Intermediate Similarity NPC472271
0.8264 Intermediate Similarity NPC297657
0.8261 Intermediate Similarity NPC206095
0.8261 Intermediate Similarity NPC35702
0.8261 Intermediate Similarity NPC13818
0.8261 Intermediate Similarity NPC224389
0.8261 Intermediate Similarity NPC477335
0.8261 Intermediate Similarity NPC471027
0.8261 Intermediate Similarity NPC91546
0.8261 Intermediate Similarity NPC297517
0.8248 Intermediate Similarity NPC289690
0.8248 Intermediate Similarity NPC303683
0.8248 Intermediate Similarity NPC110699
0.8248 Intermediate Similarity NPC205751
0.8248 Intermediate Similarity NPC274891
0.8248 Intermediate Similarity NPC106055
0.8248 Intermediate Similarity NPC288452
0.8248 Intermediate Similarity NPC476819
0.8248 Intermediate Similarity NPC295492
0.8248 Intermediate Similarity NPC474875
0.8248 Intermediate Similarity NPC26241
0.8248 Intermediate Similarity NPC476820
0.824 Intermediate Similarity NPC277460
0.8235 Intermediate Similarity NPC260952
0.8235 Intermediate Similarity NPC126206
0.8231 Intermediate Similarity NPC84076
0.8231 Intermediate Similarity NPC303680
0.8231 Intermediate Similarity NPC179777
0.8231 Intermediate Similarity NPC90128
0.8231 Intermediate Similarity NPC147192
0.8227 Intermediate Similarity NPC143892
0.8227 Intermediate Similarity NPC283081
0.8227 Intermediate Similarity NPC322660
0.8227 Intermediate Similarity NPC221383
0.8227 Intermediate Similarity NPC299090
0.8226 Intermediate Similarity NPC61062
0.8226 Intermediate Similarity NPC299252
0.8226 Intermediate Similarity NPC277394
0.8222 Intermediate Similarity NPC113295
0.822 Intermediate Similarity NPC127676
0.8209 Intermediate Similarity NPC475468
0.8201 Intermediate Similarity NPC319628
0.8201 Intermediate Similarity NPC37331
0.8201 Intermediate Similarity NPC303090
0.8201 Intermediate Similarity NPC284948
0.8201 Intermediate Similarity NPC220664
0.8189 Intermediate Similarity NPC158949
0.8188 Intermediate Similarity NPC290664
0.8188 Intermediate Similarity NPC326065
0.8182 Intermediate Similarity NPC241354
0.8182 Intermediate Similarity NPC32197
0.8182 Intermediate Similarity NPC229784
0.8182 Intermediate Similarity NPC30174
0.8182 Intermediate Similarity NPC226855
0.8182 Intermediate Similarity NPC477293
0.8182 Intermediate Similarity NPC477294
0.8182 Intermediate Similarity NPC304622
0.8182 Intermediate Similarity NPC183700
0.8175 Intermediate Similarity NPC220942
0.8175 Intermediate Similarity NPC64141
0.8175 Intermediate Similarity NPC89105
0.8175 Intermediate Similarity NPC219428
0.8175 Intermediate Similarity NPC152942
0.8175 Intermediate Similarity NPC302857
0.8175 Intermediate Similarity NPC476383
0.8175 Intermediate Similarity NPC81515
0.8175 Intermediate Similarity NPC472350
0.8175 Intermediate Similarity NPC37250
0.8175 Intermediate Similarity NPC278068
0.8175 Intermediate Similarity NPC142703
0.8175 Intermediate Similarity NPC68092
0.8175 Intermediate Similarity NPC284409

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC67951 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
0.8571 High Similarity NPD4379 Clinical (unspecified phase)
0.8201 Intermediate Similarity NPD6190 Approved
0.8175 Intermediate Similarity NPD7266 Discontinued
0.8016 Intermediate Similarity NPD5536 Phase 2
0.7872 Intermediate Similarity NPD8166 Discontinued
0.781 Intermediate Similarity NPD230 Phase 1
0.7805 Intermediate Similarity NPD3022 Approved
0.7805 Intermediate Similarity NPD3021 Approved
0.763 Intermediate Similarity NPD9494 Approved
0.754 Intermediate Similarity NPD228 Approved
0.7518 Intermediate Similarity NPD7095 Approved
0.75 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1358 Approved
0.7466 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD2935 Discontinued
0.745 Intermediate Similarity NPD3455 Phase 2
0.7419 Intermediate Similarity NPD3134 Approved
0.7391 Intermediate Similarity NPD3027 Phase 3
0.7388 Intermediate Similarity NPD9269 Phase 2
0.7383 Intermediate Similarity NPD1653 Approved
0.7368 Intermediate Similarity NPD2801 Approved
0.7357 Intermediate Similarity NPD4060 Phase 1
0.7338 Intermediate Similarity NPD3764 Approved
0.7305 Intermediate Similarity NPD447 Suspended
0.7287 Intermediate Similarity NPD5283 Phase 1
0.7286 Intermediate Similarity NPD6233 Phase 2
0.7273 Intermediate Similarity NPD9545 Approved
0.7239 Intermediate Similarity NPD3496 Discontinued
0.7239 Intermediate Similarity NPD3847 Discontinued
0.7234 Intermediate Similarity NPD825 Approved
0.7234 Intermediate Similarity NPD826 Approved
0.723 Intermediate Similarity NPD1511 Approved
0.7226 Intermediate Similarity NPD2797 Approved
0.7222 Intermediate Similarity NPD7685 Pre-registration
0.7218 Intermediate Similarity NPD5585 Approved
0.7214 Intermediate Similarity NPD6798 Discontinued
0.7209 Intermediate Similarity NPD5535 Approved
0.7208 Intermediate Similarity NPD3817 Phase 2
0.7203 Intermediate Similarity NPD7097 Phase 1
0.7194 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD1535 Discovery
0.7179 Intermediate Similarity NPD6234 Discontinued
0.7167 Intermediate Similarity NPD2934 Approved
0.7167 Intermediate Similarity NPD2933 Approved
0.7164 Intermediate Similarity NPD4626 Approved
0.7153 Intermediate Similarity NPD3225 Approved
0.7152 Intermediate Similarity NPD6232 Discontinued
0.7143 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4628 Phase 3
0.7133 Intermediate Similarity NPD1512 Approved
0.7132 Intermediate Similarity NPD1481 Phase 2
0.7122 Intermediate Similarity NPD5736 Approved
0.7122 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD4357 Discontinued
0.7113 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD1613 Approved
0.7113 Intermediate Similarity NPD943 Approved
0.7107 Intermediate Similarity NPD2859 Approved
0.7107 Intermediate Similarity NPD2860 Approved
0.7103 Intermediate Similarity NPD6032 Approved
0.7092 Intermediate Similarity NPD3268 Approved
0.7092 Intermediate Similarity NPD2313 Discontinued
0.709 Intermediate Similarity NPD9268 Approved
0.7081 Intermediate Similarity NPD3818 Discontinued
0.7078 Intermediate Similarity NPD1934 Approved
0.7073 Intermediate Similarity NPD3020 Approved
0.7063 Intermediate Similarity NPD4340 Discontinued
0.7063 Intermediate Similarity NPD555 Phase 2
0.7063 Intermediate Similarity NPD6355 Discontinued
0.7051 Intermediate Similarity NPD3882 Suspended
0.705 Intermediate Similarity NPD257 Approved
0.705 Intermediate Similarity NPD258 Approved
0.7042 Intermediate Similarity NPD4062 Phase 3
0.7042 Intermediate Similarity NPD259 Phase 1
0.7034 Intermediate Similarity NPD2799 Discontinued
0.7032 Intermediate Similarity NPD1465 Phase 2
0.7029 Intermediate Similarity NPD1283 Approved
0.7027 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4110 Phase 3
0.7019 Intermediate Similarity NPD7473 Discontinued
0.7015 Intermediate Similarity NPD1894 Discontinued
0.6992 Remote Similarity NPD9493 Approved
0.6984 Remote Similarity NPD5909 Discontinued
0.6978 Remote Similarity NPD1203 Approved
0.6974 Remote Similarity NPD6980 Clinical (unspecified phase)
0.697 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6968 Remote Similarity NPD37 Approved
0.6963 Remote Similarity NPD1357 Approved
0.6963 Remote Similarity NPD5691 Approved
0.6959 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2982 Phase 2
0.6957 Remote Similarity NPD4359 Approved
0.6957 Remote Similarity NPD2983 Phase 2
0.6954 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6951 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6946 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6944 Remote Similarity NPD1933 Approved
0.6943 Remote Similarity NPD4965 Approved
0.6943 Remote Similarity NPD4967 Phase 2
0.6943 Remote Similarity NPD4966 Approved
0.6939 Remote Similarity NPD2346 Discontinued
0.6934 Remote Similarity NPD422 Phase 1
0.6933 Remote Similarity NPD7054 Approved
0.6923 Remote Similarity NPD6663 Approved
0.6918 Remote Similarity NPD4308 Phase 3
0.6913 Remote Similarity NPD3750 Approved
0.6912 Remote Similarity NPD1778 Approved
0.6903 Remote Similarity NPD6385 Approved
0.6903 Remote Similarity NPD6386 Approved
0.6897 Remote Similarity NPD6653 Approved
0.689 Remote Similarity NPD7472 Approved
0.6884 Remote Similarity NPD1608 Approved
0.6884 Remote Similarity NPD2981 Phase 2
0.6883 Remote Similarity NPD3226 Approved
0.688 Remote Similarity NPD1242 Phase 1
0.6879 Remote Similarity NPD5402 Approved
0.6879 Remote Similarity NPD9569 Approved
0.6875 Remote Similarity NPD8127 Discontinued
0.6875 Remote Similarity NPD3620 Phase 2
0.6875 Remote Similarity NPD968 Approved
0.6875 Remote Similarity NPD2979 Phase 3
0.6875 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6871 Remote Similarity NPD7228 Approved
0.6853 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6852 Remote Similarity NPD6166 Phase 2
0.6852 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6797 Phase 2
0.6839 Remote Similarity NPD4380 Phase 2
0.6835 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6831 Remote Similarity NPD6832 Phase 2
0.6828 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6824 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6824 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6822 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6821 Remote Similarity NPD7440 Discontinued
0.6818 Remote Similarity NPD7843 Approved
0.6812 Remote Similarity NPD1281 Approved
0.6809 Remote Similarity NPD2798 Approved
0.6809 Remote Similarity NPD6584 Phase 3
0.6807 Remote Similarity NPD7251 Discontinued
0.68 Remote Similarity NPD7003 Approved
0.6797 Remote Similarity NPD6273 Approved
0.6797 Remote Similarity NPD9697 Approved
0.6794 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6792 Remote Similarity NPD7075 Discontinued
0.6791 Remote Similarity NPD6671 Approved
0.6791 Remote Similarity NPD7157 Approved
0.6791 Remote Similarity NPD4198 Discontinued
0.6788 Remote Similarity NPD2932 Approved
0.6788 Remote Similarity NPD3019 Approved
0.6788 Remote Similarity NPD7074 Phase 3
0.6779 Remote Similarity NPD970 Clinical (unspecified phase)
0.6769 Remote Similarity NPD2684 Approved
0.6767 Remote Similarity NPD1241 Discontinued
0.6763 Remote Similarity NPD9717 Approved
0.6761 Remote Similarity NPD3018 Phase 2
0.6761 Remote Similarity NPD2861 Phase 2
0.6759 Remote Similarity NPD1558 Phase 1
0.6759 Remote Similarity NPD4140 Approved
0.6757 Remote Similarity NPD2438 Suspended
0.6738 Remote Similarity NPD3055 Approved
0.6738 Remote Similarity NPD3267 Approved
0.6738 Remote Similarity NPD1470 Approved
0.6738 Remote Similarity NPD3053 Approved
0.6738 Remote Similarity NPD3266 Approved
0.6736 Remote Similarity NPD3144 Approved
0.6736 Remote Similarity NPD3145 Approved
0.6732 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6727 Remote Similarity NPD5844 Phase 1
0.6715 Remote Similarity NPD1651 Approved
0.6713 Remote Similarity NPD2614 Approved
0.6712 Remote Similarity NPD275 Approved
0.6712 Remote Similarity NPD274 Approved
0.6711 Remote Similarity NPD2344 Approved
0.6711 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6709 Remote Similarity NPD7819 Suspended
0.6695 Remote Similarity NPD111 Approved
0.6692 Remote Similarity NPD9379 Approved
0.6692 Remote Similarity NPD9377 Approved
0.6691 Remote Similarity NPD3705 Approved
0.669 Remote Similarity NPD5647 Approved
0.669 Remote Similarity NPD2674 Phase 3
0.6689 Remote Similarity NPD1510 Phase 2
0.6689 Remote Similarity NPD651 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6689 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6689 Remote Similarity NPD7033 Discontinued
0.6687 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7199 Phase 2
0.6667 Remote Similarity NPD824 Approved
0.6667 Remote Similarity NPD2424 Discontinued
0.6667 Remote Similarity NPD7808 Phase 3
0.6667 Remote Similarity NPD4534 Discontinued
0.6667 Remote Similarity NPD5163 Phase 2
0.6667 Remote Similarity NPD5310 Approved
0.6667 Remote Similarity NPD2821 Approved
0.6667 Remote Similarity NPD7458 Discontinued
0.6667 Remote Similarity NPD1876 Approved
0.6667 Remote Similarity NPD17 Approved

Structure

External Identifiers

PubChem CID   54726790
ChEMBL   CHEMBL226020
ZINC  

Physicochemical Properties

Molecular Weight:  438.10
ALogP:  -1.451
MLogP:  3
XLogP:  3.01
# Rotatable Bonds:  12
Polar Surface Area:  153.75
# H-Bond Aceptor:  5
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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