Natural Product: NPC477115

Natural Product ID:  NPC477115
Common Name:   Scoparasin B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H37NO9
Standard InCHIKey:  YXSYADYLBHSOLA-PZOHNQLKSA-N
Standard InCHI:  InChI=1S/C29H37NO9/c1-16-7-6-8-20-24(32)28(4,36)17(2)22-21(15-18-9-11-19(37-5)12-10-18)30-25(33)29(20,22)39-26(34)38-14-13-27(3,35)23(16)31/h6,8-14,16-17,20-22,24,32,35-36H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m0/s1
Canonical SMILES:  COc1ccc(cc1)C[C@@H]1N=C([C@@]23[C@H]1[C@H](C)[C@@](C)(O)[C@H]([C@@H]3/C=C/C[C@H](C)C(=O)[C@](/C=C/OC(=O)O2)(C)O)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
NPO26834 Eutypella scoparia Species Diatrypaceae Eukaryota PMID[16724861]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT327 Organism Microsporum gypseum Microsporum gypseum MIC = 30300 nM 16724861

  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 NPC477115 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
0.865 High Similarity NPC156348
0.8606 High Similarity NPC15506
0.8562 High Similarity NPC4108
0.8418 Intermediate Similarity NPC49565
0.8182 Intermediate Similarity NPC474607
0.8136 Intermediate Similarity NPC474650
0.8089 Intermediate Similarity NPC175870
0.8025 Intermediate Similarity NPC237240
0.8025 Intermediate Similarity NPC31171
0.8023 Intermediate Similarity NPC475794
0.7988 Intermediate Similarity NPC201692
0.7874 Intermediate Similarity NPC304846
0.7866 Intermediate Similarity NPC173934
0.7853 Intermediate Similarity NPC262216
0.7848 Intermediate Similarity NPC228511
0.7826 Intermediate Similarity NPC239770
0.7799 Intermediate Similarity NPC279045
0.7799 Intermediate Similarity NPC113325
0.7784 Intermediate Similarity NPC474953
0.7759 Intermediate Similarity NPC54125
0.7759 Intermediate Similarity NPC89199
0.7758 Intermediate Similarity NPC313414
0.7747 Intermediate Similarity NPC34780
0.7709 Intermediate Similarity NPC115343
0.7709 Intermediate Similarity NPC1291
0.7706 Intermediate Similarity NPC207675
0.7706 Intermediate Similarity NPC212699
0.7705 Intermediate Similarity NPC474661
0.7705 Intermediate Similarity NPC475919
0.7669 Intermediate Similarity NPC261709
0.7669 Intermediate Similarity NPC108852
0.7669 Intermediate Similarity NPC111586
0.7643 Intermediate Similarity NPC295478
0.763 Intermediate Similarity NPC69360
0.7614 Intermediate Similarity NPC198741
0.761 Intermediate Similarity NPC42423
0.7598 Intermediate Similarity NPC474051
0.7598 Intermediate Similarity NPC289743
0.7598 Intermediate Similarity NPC110374
0.7565 Intermediate Similarity NPC475768
0.7556 Intermediate Similarity NPC187678
0.7542 Intermediate Similarity NPC211713
0.7542 Intermediate Similarity NPC88378
0.7528 Intermediate Similarity NPC182257
0.7516 Intermediate Similarity NPC64897
0.7516 Intermediate Similarity NPC90693
0.7514 Intermediate Similarity NPC471395
0.7514 Intermediate Similarity NPC476194
0.75 Intermediate Similarity NPC132771
0.7433 Intermediate Similarity NPC470642
0.7432 Intermediate Similarity NPC474745
0.7425 Intermediate Similarity NPC178466
0.7425 Intermediate Similarity NPC63628
0.7405 Intermediate Similarity NPC475981
0.7405 Intermediate Similarity NPC278097
0.7405 Intermediate Similarity NPC474746
0.7377 Intermediate Similarity NPC474325
0.7341 Intermediate Similarity NPC275027
0.733 Intermediate Similarity NPC329837
0.7326 Intermediate Similarity NPC230098
0.7322 Intermediate Similarity NPC237044
0.7312 Intermediate Similarity NPC71271
0.731 Intermediate Similarity NPC476744
0.7308 Intermediate Similarity NPC228040
0.7303 Intermediate Similarity NPC189782
0.7302 Intermediate Similarity NPC319549
0.7299 Intermediate Similarity NPC10221
0.7299 Intermediate Similarity NPC18249
0.7299 Intermediate Similarity NPC187028
0.7299 Intermediate Similarity NPC140915
0.7299 Intermediate Similarity NPC197741
0.7299 Intermediate Similarity NPC305700
0.7288 Intermediate Similarity NPC4304
0.7284 Intermediate Similarity NPC470727
0.7273 Intermediate Similarity NPC38699
0.7268 Intermediate Similarity NPC49353
0.7268 Intermediate Similarity NPC304675
0.7257 Intermediate Similarity NPC245948
0.7251 Intermediate Similarity NPC476743
0.7251 Intermediate Similarity NPC320734
0.7232 Intermediate Similarity NPC29727
0.7232 Intermediate Similarity NPC163635
0.7229 Intermediate Similarity NPC254610
0.7222 Intermediate Similarity NPC90984
0.7216 Intermediate Similarity NPC471203
0.7213 Intermediate Similarity NPC2314
0.7202 Intermediate Similarity NPC195814
0.7191 Intermediate Similarity NPC66678
0.7191 Intermediate Similarity NPC202839
0.7189 Intermediate Similarity NPC148693
0.7189 Intermediate Similarity NPC118633
0.7189 Intermediate Similarity NPC294790
0.7186 Intermediate Similarity NPC281780
0.7184 Intermediate Similarity NPC476741
0.7184 Intermediate Similarity NPC474560
0.7182 Intermediate Similarity NPC100566
0.7182 Intermediate Similarity NPC190332
0.7182 Intermediate Similarity NPC181653
0.7176 Intermediate Similarity NPC161155
0.7176 Intermediate Similarity NPC97004
0.7176 Intermediate Similarity NPC136951
0.7175 Intermediate Similarity NPC206736
0.7175 Intermediate Similarity NPC195766
0.7174 Intermediate Similarity NPC329969
0.7168 Intermediate Similarity NPC139699
0.7168 Intermediate Similarity NPC114659
0.7168 Intermediate Similarity NPC304821
0.716 Intermediate Similarity NPC136649
0.7159 Intermediate Similarity NPC474606
0.7158 Intermediate Similarity NPC231371
0.7143 Intermediate Similarity NPC119252
0.7143 Intermediate Similarity NPC77572
0.7135 Intermediate Similarity NPC228357
0.7135 Intermediate Similarity NPC97282
0.7135 Intermediate Similarity NPC237946
0.7135 Intermediate Similarity NPC148185
0.7135 Intermediate Similarity NPC67080
0.7135 Intermediate Similarity NPC59028
0.7135 Intermediate Similarity NPC32373
0.7135 Intermediate Similarity NPC92191
0.7128 Intermediate Similarity NPC108191
0.7128 Intermediate Similarity NPC93685
0.7127 Intermediate Similarity NPC3906
0.7127 Intermediate Similarity NPC68328
0.7126 Intermediate Similarity NPC471988
0.7126 Intermediate Similarity NPC312770
0.7126 Intermediate Similarity NPC44452
0.7126 Intermediate Similarity NPC476742
0.7126 Intermediate Similarity NPC41473
0.7126 Intermediate Similarity NPC204848
0.7126 Intermediate Similarity NPC14600
0.7126 Intermediate Similarity NPC160607
0.7125 Intermediate Similarity NPC472414
0.7119 Intermediate Similarity NPC473425
0.7112 Intermediate Similarity NPC315913
0.7111 Intermediate Similarity NPC63061
0.7111 Intermediate Similarity NPC150943
0.7111 Intermediate Similarity NPC91634
0.7111 Intermediate Similarity NPC268718
0.7104 Intermediate Similarity NPC474708
0.7102 Intermediate Similarity NPC226941
0.7102 Intermediate Similarity NPC44642
0.7102 Intermediate Similarity NPC108957
0.7102 Intermediate Similarity NPC56635
0.7102 Intermediate Similarity NPC302610
0.7102 Intermediate Similarity NPC471154
0.7102 Intermediate Similarity NPC10875
0.7102 Intermediate Similarity NPC10730
0.7102 Intermediate Similarity NPC14005
0.71 Intermediate Similarity NPC476496
0.7098 Intermediate Similarity NPC33256
0.7095 Intermediate Similarity NPC19947
0.7095 Intermediate Similarity NPC207584
0.7093 Intermediate Similarity NPC286245
0.7093 Intermediate Similarity NPC272619
0.7093 Intermediate Similarity NPC476301
0.7093 Intermediate Similarity NPC43508
0.7088 Intermediate Similarity NPC120012
0.7088 Intermediate Similarity NPC252960
0.7086 Intermediate Similarity NPC127402
0.7086 Intermediate Similarity NPC229882
0.7086 Intermediate Similarity NPC158635
0.7086 Intermediate Similarity NPC24425
0.7086 Intermediate Similarity NPC52475
0.7083 Intermediate Similarity NPC299583
0.7081 Intermediate Similarity NPC29477
0.7079 Intermediate Similarity NPC238834
0.7077 Intermediate Similarity NPC313453
0.7076 Intermediate Similarity NPC204644
0.7074 Intermediate Similarity NPC248642
0.7072 Intermediate Similarity NPC180306
0.7072 Intermediate Similarity NPC152424
0.7072 Intermediate Similarity NPC470936
0.7072 Intermediate Similarity NPC288149
0.7072 Intermediate Similarity NPC100465
0.7069 Intermediate Similarity NPC95990
0.7069 Intermediate Similarity NPC182119
0.7069 Intermediate Similarity NPC316676
0.7069 Intermediate Similarity NPC325720
0.7068 Intermediate Similarity NPC475336
0.7068 Intermediate Similarity NPC473300
0.7068 Intermediate Similarity NPC471754
0.7068 Intermediate Similarity NPC317882
0.7068 Intermediate Similarity NPC453583
0.7066 Intermediate Similarity NPC174191
0.7065 Intermediate Similarity NPC477640
0.7065 Intermediate Similarity NPC470739
0.7065 Intermediate Similarity NPC225597
0.7062 Intermediate Similarity NPC77237
0.7062 Intermediate Similarity NPC299706
0.7062 Intermediate Similarity NPC245615
0.7062 Intermediate Similarity NPC53669
0.7062 Intermediate Similarity NPC66909
0.7062 Intermediate Similarity NPC217708
0.7062 Intermediate Similarity NPC16791
0.7062 Intermediate Similarity NPC126405
0.7062 Intermediate Similarity NPC65591
0.7062 Intermediate Similarity NPC24562
0.7062 Intermediate Similarity NPC178574
0.7062 Intermediate Similarity NPC297271

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477115 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
0.8025 Intermediate Similarity NPD7274 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7435 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD7007 Discovery
0.7407 Intermediate Similarity NPD2238 Phase 2
0.7363 Intermediate Similarity NPD8404 Phase 2
0.7349 Intermediate Similarity NPD1375 Discontinued
0.7318 Intermediate Similarity NPD7315 Approved
0.7314 Intermediate Similarity NPD7972 Discontinued
0.7302 Intermediate Similarity NPD7296 Approved
0.7286 Intermediate Similarity NPD7801 Approved
0.7283 Intermediate Similarity NPD4005 Discontinued
0.7257 Intermediate Similarity NPD37 Approved
0.7236 Intermediate Similarity NPD7874 Approved
0.7236 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD6667 Approved
0.7235 Intermediate Similarity NPD6666 Approved
0.7234 Intermediate Similarity NPD6843 Phase 3
0.7234 Intermediate Similarity NPD6842 Approved
0.7234 Intermediate Similarity NPD6841 Approved
0.7216 Intermediate Similarity NPD5773 Approved
0.7216 Intermediate Similarity NPD5772 Approved
0.7213 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD7526 Approved
0.7209 Intermediate Similarity NPD52 Approved
0.7207 Intermediate Similarity NPD4666 Phase 3
0.72 Intermediate Similarity NPD6072 Discontinued
0.7186 Intermediate Similarity NPD2161 Phase 2
0.7166 Intermediate Similarity NPD8407 Phase 2
0.7151 Intermediate Similarity NPD5709 Phase 3
0.7143 Intermediate Similarity NPD7906 Approved
0.7143 Intermediate Similarity NPD6823 Phase 2
0.7135 Intermediate Similarity NPD4965 Approved
0.7135 Intermediate Similarity NPD4967 Phase 2
0.7135 Intermediate Similarity NPD4966 Approved
0.7128 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2978 Approved
0.7119 Intermediate Similarity NPD2977 Approved
0.7111 Intermediate Similarity NPD6746 Phase 2
0.711 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD8360 Approved
0.7105 Intermediate Similarity NPD8361 Approved
0.7102 Intermediate Similarity NPD5089 Approved
0.7102 Intermediate Similarity NPD5090 Approved
0.7097 Intermediate Similarity NPD8368 Discontinued
0.7092 Intermediate Similarity NPD2494 Approved
0.7092 Intermediate Similarity NPD2493 Approved
0.709 Intermediate Similarity NPD4663 Approved
0.7088 Intermediate Similarity NPD2970 Approved
0.7088 Intermediate Similarity NPD2969 Approved
0.7081 Intermediate Similarity NPD5557 Phase 1
0.7079 Intermediate Similarity NPD7827 Phase 1
0.7077 Intermediate Similarity NPD7565 Approved
0.7074 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD4583 Approved
0.7071 Intermediate Similarity NPD4582 Approved
0.7065 Intermediate Similarity NPD3909 Discontinued
0.7062 Intermediate Similarity NPD2973 Approved
0.7062 Intermediate Similarity NPD2974 Approved
0.7062 Intermediate Similarity NPD2975 Approved
0.7056 Intermediate Similarity NPD6234 Discontinued
0.7052 Intermediate Similarity NPD4739 Approved
0.7043 Intermediate Similarity NPD7959 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6777 Approved
0.7041 Intermediate Similarity NPD6776 Approved
0.7041 Intermediate Similarity NPD4580 Approved
0.7041 Intermediate Similarity NPD6781 Approved
0.7041 Intermediate Similarity NPD8486 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD6782 Approved
0.7041 Intermediate Similarity NPD6779 Approved
0.7041 Intermediate Similarity NPD6780 Approved
0.7041 Intermediate Similarity NPD6778 Approved
0.7033 Intermediate Similarity NPD3051 Approved
0.7024 Intermediate Similarity NPD4108 Discontinued
0.7021 Intermediate Similarity NPD7311 Approved
0.7021 Intermediate Similarity NPD7313 Approved
0.7021 Intermediate Similarity NPD7312 Approved
0.7021 Intermediate Similarity NPD7310 Approved
0.702 Intermediate Similarity NPD7497 Discontinued
0.702 Intermediate Similarity NPD4004 Approved
0.702 Intermediate Similarity NPD4002 Approved
0.7018 Intermediate Similarity NPD6331 Phase 2
0.7016 Intermediate Similarity NPD8435 Approved
0.7006 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD8014 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD3452 Approved
0.7005 Intermediate Similarity NPD3450 Approved
0.7 Intermediate Similarity NPD4055 Discovery
0.7 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.6994 Remote Similarity NPD4357 Discontinued
0.6984 Remote Similarity NPD7309 Approved
0.6979 Remote Similarity NPD2488 Approved
0.6979 Remote Similarity NPD2490 Approved
0.6973 Remote Similarity NPD7228 Approved
0.6965 Remote Similarity NPD7701 Phase 2
0.6963 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6957 Remote Similarity NPD2489 Approved
0.6957 Remote Similarity NPD4481 Phase 3
0.6957 Remote Similarity NPD27 Approved
0.6954 Remote Similarity NPD3536 Discontinued
0.6947 Remote Similarity NPD5036 Approved
0.6941 Remote Similarity NPD5762 Approved
0.6941 Remote Similarity NPD5763 Approved
0.6935 Remote Similarity NPD7697 Approved
0.6935 Remote Similarity NPD7698 Approved
0.6935 Remote Similarity NPD7696 Phase 3
0.6931 Remote Similarity NPD4577 Approved
0.6931 Remote Similarity NPD5035 Approved
0.6931 Remote Similarity NPD4578 Approved
0.6931 Remote Similarity NPD8151 Discontinued
0.6927 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6919 Remote Similarity NPD3400 Discontinued
0.6911 Remote Similarity NPD5038 Approved
0.6911 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6911 Remote Similarity NPD5037 Approved
0.6905 Remote Similarity NPD1772 Clinical (unspecified phase)
0.69 Remote Similarity NPD7871 Phase 2
0.69 Remote Similarity NPD7870 Phase 2
0.6894 Remote Similarity NPD2232 Approved
0.6894 Remote Similarity NPD2233 Approved
0.6894 Remote Similarity NPD2230 Approved
0.6888 Remote Similarity NPD8485 Approved
0.6887 Remote Similarity NPD8059 Phase 3
0.6887 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7999 Approved
0.6862 Remote Similarity NPD3823 Discontinued
0.686 Remote Similarity NPD4236 Phase 3
0.686 Remote Similarity NPD4237 Approved
0.6857 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6852 Remote Similarity NPD3676 Clinical (unspecified phase)
0.685 Remote Similarity NPD7435 Discontinued
0.6845 Remote Similarity NPD6355 Discontinued
0.6842 Remote Similarity NPD2971 Approved
0.6842 Remote Similarity NPD2968 Approved
0.6836 Remote Similarity NPD3687 Approved
0.6836 Remote Similarity NPD3686 Approved
0.6826 Remote Similarity NPD839 Approved
0.6826 Remote Similarity NPD840 Approved
0.6826 Remote Similarity NPD2674 Phase 3
0.6825 Remote Similarity NPD5030 Phase 2
0.6821 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6816 Remote Similarity NPD8319 Approved
0.6816 Remote Similarity NPD8320 Phase 1
0.6813 Remote Similarity NPD2668 Approved
0.6813 Remote Similarity NPD2667 Approved
0.681 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6791 Remote Similarity NPD8067 Phase 3
0.6789 Remote Similarity NPD5026 Approved
0.6789 Remote Similarity NPD5028 Approved
0.6789 Remote Similarity NPD4955 Approved
0.6789 Remote Similarity NPD4954 Approved
0.6789 Remote Similarity NPD36 Approved
0.6789 Remote Similarity NPD5032 Approved
0.6789 Remote Similarity NPD5034 Approved
0.6786 Remote Similarity NPD4060 Phase 1
0.6786 Remote Similarity NPD6535 Approved
0.6786 Remote Similarity NPD6534 Approved
0.6782 Remote Similarity NPD5241 Discontinued
0.6782 Remote Similarity NPD2677 Approved
0.678 Remote Similarity NPD7783 Phase 2
0.678 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6778 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6778 Remote Similarity NPD4433 Discontinued
0.6768 Remote Similarity NPD7700 Phase 2
0.6768 Remote Similarity NPD7699 Phase 2
0.6766 Remote Similarity NPD3145 Approved
0.6766 Remote Similarity NPD3144 Approved
0.6765 Remote Similarity NPD7097 Phase 1
0.6763 Remote Similarity NPD7930 Approved
0.6761 Remote Similarity NPD4123 Phase 3
0.676 Remote Similarity NPD4675 Approved
0.676 Remote Similarity NPD4678 Approved
0.676 Remote Similarity NPD6502 Phase 2
0.6757 Remote Similarity NPD7608 Discontinued
0.6755 Remote Similarity NPD6042 Phase 2
0.6755 Remote Similarity NPD42 Phase 2
0.6754 Remote Similarity NPD7281 Phase 3
0.6754 Remote Similarity NPD3534 Clinical (unspecified phase)
0.6754 Remote Similarity NPD7280 Phase 3
0.6748 Remote Similarity NPD1669 Approved
0.6747 Remote Similarity NPD596 Approved
0.6747 Remote Similarity NPD600 Approved
0.674 Remote Similarity NPD5929 Approved
0.674 Remote Similarity NPD7089 Clinical (unspecified phase)
0.6737 Remote Similarity NPD7240 Approved
0.6736 Remote Similarity NPD8150 Discontinued
0.6736 Remote Similarity NPD3857 Clinical (unspecified phase)
0.6736 Remote Similarity NPD8434 Phase 2
0.6722 Remote Similarity NPD6386 Approved
0.6722 Remote Similarity NPD6385 Approved
0.6721 Remote Similarity NPD3453 Discontinued
0.672 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6707 Remote Similarity NPD3027 Phase 3
0.6706 Remote Similarity NPD2157 Approved
0.6705 Remote Similarity NPD2424 Discontinued
0.6703 Remote Similarity NPD7199 Phase 2
0.6703 Remote Similarity NPD2563 Approved
0.6703 Remote Similarity NPD2560 Approved

Structure

External Identifiers

PubChem CID   11642398
ChEMBL   CHEMBL525767
ZINC  

Physicochemical Properties

Molecular Weight:  543.25
ALogP:  -1.1516
MLogP:  3.55
XLogP:  3.147
# Rotatable Bonds:  12
Polar Surface Area:  155.11
# H-Bond Aceptor:  9
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  39

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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