Natural Product: NPC197166

Natural Product ID:  NPC197166
Common Name:   Rel-Saurulignan C
IUPAC Name:   6-[(2R,3S)-4-(2-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-benzodioxol-5-ol
Synonyms:  
Molecular Formula:   C21H26O6
Standard InCHIKey:  HWEDUYYNFQNDIU-QWHCGFSZSA-N
Standard InCHI:  InChI=1S/C21H26O6/c1-12(5-14-7-18(24-3)19(25-4)9-16(14)22)13(2)6-15-8-20-21(10-17(15)23)27-11-26-20/h7-10,12-13,22-23H,5-6,11H2,1-4H3/t12-,13+/m0/s1
Canonical SMILES:  COc1cc(O)c(cc1OC)C[C@@H]([C@@H](Cc1cc2OCOc2cc1O)C)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
NPO20323 Saururus chinensis Species Saururaceae Eukaryota Aerial parts PMID[24387347]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 7 % 23252603
NPT2 Others Unspecified Inhibition = 73 % 19586051
NPT2 Others Unspecified Inhibition = 71.5 % 19586051

  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 NPC197166 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
0.9847 High Similarity NPC9068
0.9847 High Similarity NPC30951
0.9847 High Similarity NPC6369
0.9773 High Similarity NPC284464
0.9556 High Similarity NPC474808
0.9416 High Similarity NPC307466
0.9385 High Similarity NPC63574
0.9385 High Similarity NPC184814
0.9385 High Similarity NPC224157
0.9385 High Similarity NPC192687
0.9348 High Similarity NPC33832
0.9338 High Similarity NPC184641
0.9338 High Similarity NPC133934
0.9338 High Similarity NPC184684
0.9328 High Similarity NPC474039
0.9318 High Similarity NPC196937
0.9318 High Similarity NPC471390
0.9318 High Similarity NPC471391
0.9308 High Similarity NPC190144
0.9281 High Similarity NPC116019
0.9259 High Similarity NPC290714
0.9259 High Similarity NPC201404
0.9259 High Similarity NPC53722
0.9242 High Similarity NPC6451
0.9214 High Similarity NPC71726
0.9203 High Similarity NPC73467
0.9203 High Similarity NPC121661
0.9197 High Similarity NPC229172
0.9197 High Similarity NPC36531
0.9197 High Similarity NPC230538
0.9197 High Similarity NPC103637
0.9197 High Similarity NPC191231
0.9191 High Similarity NPC177868
0.9179 High Similarity NPC150534
0.9173 High Similarity NPC112237
0.9173 High Similarity NPC58585
0.9167 High Similarity NPC45715
0.9167 High Similarity NPC232275
0.9167 High Similarity NPC474356
0.9167 High Similarity NPC12275
0.9137 High Similarity NPC474749
0.9137 High Similarity NPC42716
0.9137 High Similarity NPC11422
0.9137 High Similarity NPC197352
0.9137 High Similarity NPC178014
0.9137 High Similarity NPC189239
0.9137 High Similarity NPC166506
0.9137 High Similarity NPC180953
0.9137 High Similarity NPC110763
0.913 High Similarity NPC324962
0.9104 High Similarity NPC145722
0.9104 High Similarity NPC185680
0.9104 High Similarity NPC256776
0.9091 High Similarity NPC299221
0.9091 High Similarity NPC311680
0.9091 High Similarity NPC234488
0.9091 High Similarity NPC51840
0.9078 High Similarity NPC166584
0.9078 High Similarity NPC301961
0.9071 High Similarity NPC154971
0.9071 High Similarity NPC252286
0.9071 High Similarity NPC226540
0.9065 High Similarity NPC172171
0.9065 High Similarity NPC239254
0.9058 High Similarity NPC41782
0.9051 High Similarity NPC254759
0.9051 High Similarity NPC27495
0.9051 High Similarity NPC160283
0.9044 High Similarity NPC185908
0.9044 High Similarity NPC283949
0.9037 High Similarity NPC236522
0.9015 High Similarity NPC10225
0.9015 High Similarity NPC470633
0.9015 High Similarity NPC58164
0.9015 High Similarity NPC228769
0.9 High Similarity NPC475868
0.9 High Similarity NPC105925
0.8993 High Similarity NPC298317
0.8993 High Similarity NPC185071
0.8993 High Similarity NPC12728
0.8993 High Similarity NPC255566
0.8986 High Similarity NPC311530
0.8986 High Similarity NPC247291
0.8978 High Similarity NPC292487
0.8978 High Similarity NPC292882
0.8971 High Similarity NPC32189
0.8971 High Similarity NPC173660
0.8955 High Similarity NPC175067
0.8955 High Similarity NPC261812
0.8955 High Similarity NPC471505
0.8955 High Similarity NPC72046
0.8955 High Similarity NPC65183
0.8955 High Similarity NPC204215
0.8947 High Similarity NPC237169
0.8947 High Similarity NPC470624
0.8939 High Similarity NPC266691
0.8936 High Similarity NPC162193
0.8931 High Similarity NPC76451
0.8931 High Similarity NPC223953
0.8929 High Similarity NPC472712
0.8929 High Similarity NPC118385
0.8929 High Similarity NPC473046
0.8929 High Similarity NPC472713
0.8929 High Similarity NPC187774
0.8923 High Similarity NPC92869
0.8923 High Similarity NPC191768
0.8923 High Similarity NPC283170
0.8921 High Similarity NPC472562
0.8921 High Similarity NPC107161
0.8921 High Similarity NPC80326
0.8915 High Similarity NPC211231
0.8913 High Similarity NPC56091
0.8913 High Similarity NPC46591
0.8913 High Similarity NPC226547
0.8905 High Similarity NPC196420
0.8897 High Similarity NPC111655
0.8897 High Similarity NPC195022
0.8889 High Similarity NPC136750
0.8889 High Similarity NPC266848
0.8889 High Similarity NPC158331
0.8881 High Similarity NPC240521
0.8881 High Similarity NPC192255
0.8865 High Similarity NPC477702
0.8864 High Similarity NPC74817
0.8864 High Similarity NPC246620
0.8864 High Similarity NPC124452
0.8864 High Similarity NPC202904
0.8864 High Similarity NPC282000
0.8864 High Similarity NPC293054
0.8864 High Similarity NPC169474
0.8864 High Similarity NPC236791
0.8864 High Similarity NPC127587
0.8864 High Similarity NPC159968
0.8864 High Similarity NPC82679
0.8864 High Similarity NPC189248
0.8864 High Similarity NPC324112
0.8857 High Similarity NPC81638
0.8857 High Similarity NPC47633
0.8857 High Similarity NPC477616
0.8857 High Similarity NPC102044
0.8857 High Similarity NPC85264
0.8849 High Similarity NPC58137
0.8849 High Similarity NPC300798
0.8846 High Similarity NPC249788
0.8846 High Similarity NPC282496
0.8846 High Similarity NPC233526
0.8841 High Similarity NPC245207
0.8841 High Similarity NPC127218
0.8841 High Similarity NPC25966
0.8841 High Similarity NPC319647
0.8841 High Similarity NPC471388
0.8836 High Similarity NPC159922
0.8832 High Similarity NPC172818
0.8832 High Similarity NPC25695
0.8832 High Similarity NPC205442
0.8824 High Similarity NPC244983
0.8824 High Similarity NPC56764
0.8824 High Similarity NPC276026
0.8824 High Similarity NPC188378
0.8824 High Similarity NPC7515
0.8824 High Similarity NPC287745
0.8824 High Similarity NPC31530
0.8824 High Similarity NPC555
0.8824 High Similarity NPC206737
0.8824 High Similarity NPC326095
0.8824 High Similarity NPC289258
0.8824 High Similarity NPC469659
0.8819 High Similarity NPC472709
0.8819 High Similarity NPC472710
0.8819 High Similarity NPC177830
0.8819 High Similarity NPC24425
0.8815 High Similarity NPC106739
0.8815 High Similarity NPC259742
0.8815 High Similarity NPC104077
0.8815 High Similarity NPC219671
0.8815 High Similarity NPC147616
0.8815 High Similarity NPC7744
0.8811 High Similarity NPC175976
0.8811 High Similarity NPC316676
0.8811 High Similarity NPC325720
0.8811 High Similarity NPC304821
0.8806 High Similarity NPC126836
0.8806 High Similarity NPC214860
0.8803 High Similarity NPC212890
0.8797 High Similarity NPC28765
0.8797 High Similarity NPC154866
0.8794 High Similarity NPC93323
0.8794 High Similarity NPC280092
0.8794 High Similarity NPC12641
0.8794 High Similarity NPC63879
0.8794 High Similarity NPC45257
0.8788 High Similarity NPC473960
0.8788 High Similarity NPC28730
0.8788 High Similarity NPC274356
0.8788 High Similarity NPC103823
0.8788 High Similarity NPC214406
0.8788 High Similarity NPC18924
0.8788 High Similarity NPC44748
0.8788 High Similarity NPC78974
0.8788 High Similarity NPC223136

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC197166 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
0.8593 High Similarity NPD3027 Phase 3
0.8389 Intermediate Similarity NPD37 Approved
0.8309 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8271 Intermediate Similarity NPD3705 Approved
0.8248 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD6234 Discontinued
0.8224 Intermediate Similarity NPD4966 Approved
0.8224 Intermediate Similarity NPD4965 Approved
0.8224 Intermediate Similarity NPD4967 Phase 2
0.8143 Intermediate Similarity NPD1613 Approved
0.8143 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD3018 Phase 2
0.8 Intermediate Similarity NPD5283 Phase 1
0.7986 Intermediate Similarity NPD4908 Phase 1
0.7914 Intermediate Similarity NPD2861 Phase 2
0.7898 Intermediate Similarity NPD7199 Phase 2
0.7883 Intermediate Similarity NPD2983 Phase 2
0.7883 Intermediate Similarity NPD2982 Phase 2
0.7881 Intermediate Similarity NPD1653 Approved
0.7875 Intermediate Similarity NPD7228 Approved
0.7872 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7868 Intermediate Similarity NPD1610 Phase 2
0.781 Intermediate Similarity NPD2981 Phase 2
0.7799 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1357 Approved
0.7754 Intermediate Similarity NPD4749 Approved
0.7733 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD6674 Discontinued
0.7697 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD3818 Discontinued
0.7628 Intermediate Similarity NPD2801 Approved
0.7595 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7589 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD228 Approved
0.7574 Intermediate Similarity NPD1548 Phase 1
0.7552 Intermediate Similarity NPD4625 Phase 3
0.75 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7482 Intermediate Similarity NPD1091 Approved
0.747 Intermediate Similarity NPD7240 Approved
0.7455 Intermediate Similarity NPD7074 Phase 3
0.7452 Intermediate Similarity NPD1934 Approved
0.745 Intermediate Similarity NPD3540 Phase 1
0.7424 Intermediate Similarity NPD3022 Approved
0.7424 Intermediate Similarity NPD3021 Approved
0.7424 Intermediate Similarity NPD4750 Phase 3
0.7421 Intermediate Similarity NPD3882 Suspended
0.7407 Intermediate Similarity NPD6232 Discontinued
0.7403 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD4060 Phase 1
0.7397 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD3620 Phase 2
0.7394 Intermediate Similarity NPD7054 Approved
0.7391 Intermediate Similarity NPD5494 Approved
0.7383 Intermediate Similarity NPD3539 Phase 1
0.7378 Intermediate Similarity NPD7473 Discontinued
0.7376 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD6671 Approved
0.7349 Intermediate Similarity NPD7472 Approved
0.7337 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD7266 Discontinued
0.7324 Intermediate Similarity NPD6696 Suspended
0.7321 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD7124 Phase 2
0.7312 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD2977 Approved
0.7296 Intermediate Similarity NPD2978 Approved
0.7296 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD5844 Phase 1
0.7273 Intermediate Similarity NPD4357 Discontinued
0.7267 Intermediate Similarity NPD2935 Discontinued
0.7261 Intermediate Similarity NPD4005 Discontinued
0.726 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD6111 Discontinued
0.7234 Intermediate Similarity NPD422 Phase 1
0.7233 Intermediate Similarity NPD3382 Approved
0.7233 Intermediate Similarity NPD3384 Approved
0.7233 Intermediate Similarity NPD3383 Approved
0.7219 Intermediate Similarity NPD7549 Discontinued
0.7219 Intermediate Similarity NPD7808 Phase 3
0.7219 Intermediate Similarity NPD1375 Discontinued
0.7202 Intermediate Similarity NPD6797 Phase 2
0.7193 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD1511 Approved
0.716 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6559 Discontinued
0.716 Intermediate Similarity NPD7251 Discontinued
0.7154 Intermediate Similarity NPD940 Approved
0.7154 Intermediate Similarity NPD846 Approved
0.7152 Intermediate Similarity NPD6100 Approved
0.7152 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6099 Approved
0.7143 Intermediate Similarity NPD3817 Phase 2
0.7143 Intermediate Similarity NPD2219 Phase 1
0.7143 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD5177 Phase 3
0.7122 Intermediate Similarity NPD5536 Phase 2
0.7108 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6166 Phase 2
0.7107 Intermediate Similarity NPD4675 Approved
0.7107 Intermediate Similarity NPD7028 Phase 2
0.7107 Intermediate Similarity NPD4678 Approved
0.7097 Intermediate Similarity NPD5058 Phase 3
0.7081 Intermediate Similarity NPD1465 Phase 2
0.7078 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD3892 Phase 2
0.7077 Intermediate Similarity NPD1242 Phase 1
0.707 Intermediate Similarity NPD1512 Approved
0.7055 Intermediate Similarity NPD4055 Discovery
0.7047 Intermediate Similarity NPD1558 Phase 1
0.7047 Intermediate Similarity NPD1240 Approved
0.7047 Intermediate Similarity NPD2238 Phase 2
0.7039 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD5111 Phase 2
0.7027 Intermediate Similarity NPD5109 Approved
0.7027 Intermediate Similarity NPD5110 Phase 2
0.7013 Intermediate Similarity NPD3060 Approved
0.7013 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4237 Approved
0.7013 Intermediate Similarity NPD4236 Phase 3
0.7006 Intermediate Similarity NPD2532 Approved
0.7006 Intermediate Similarity NPD2533 Approved
0.7006 Intermediate Similarity NPD2534 Approved
0.7006 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD3020 Approved
0.7 Intermediate Similarity NPD6355 Discontinued
0.6978 Remote Similarity NPD709 Approved
0.6975 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6974 Remote Similarity NPD1510 Phase 2
0.6974 Remote Similarity NPD4108 Discontinued
0.6972 Remote Similarity NPD4626 Approved
0.6968 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3750 Approved
0.6968 Remote Similarity NPD4110 Phase 3
0.6957 Remote Similarity NPD5089 Approved
0.6957 Remote Similarity NPD5090 Approved
0.6954 Remote Similarity NPD4097 Suspended
0.6954 Remote Similarity NPD1607 Approved
0.6951 Remote Similarity NPD5604 Discontinued
0.6944 Remote Similarity NPD2232 Approved
0.6944 Remote Similarity NPD2233 Approved
0.6944 Remote Similarity NPD2230 Approved
0.694 Remote Similarity NPD968 Approved
0.6923 Remote Similarity NPD3496 Discontinued
0.6899 Remote Similarity NPD7447 Phase 1
0.6894 Remote Similarity NPD4380 Phase 2
0.6887 Remote Similarity NPD5124 Phase 1
0.6887 Remote Similarity NPD230 Phase 1
0.6887 Remote Similarity NPD3657 Discovery
0.6887 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6886 Remote Similarity NPD7229 Phase 3
0.6886 Remote Similarity NPD3787 Discontinued
0.6885 Remote Similarity NPD7680 Approved
0.6884 Remote Similarity NPD1138 Approved
0.6884 Remote Similarity NPD7635 Approved
0.6883 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6883 Remote Similarity NPD5762 Approved
0.6883 Remote Similarity NPD5763 Approved
0.6882 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6863 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6863 Remote Similarity NPD6028 Clinical (unspecified phase)
0.686 Remote Similarity NPD7685 Pre-registration
0.6859 Remote Similarity NPD7466 Approved
0.6859 Remote Similarity NPD6331 Phase 2
0.6859 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6387 Discontinued
0.6857 Remote Similarity NPD7157 Approved
0.6853 Remote Similarity NPD5125 Phase 3
0.6853 Remote Similarity NPD5126 Approved
0.6849 Remote Similarity NPD2922 Phase 1
0.6849 Remote Similarity NPD8651 Approved
0.6846 Remote Similarity NPD7095 Approved
0.6845 Remote Similarity NPD3926 Phase 2
0.6838 Remote Similarity NPD2684 Approved
0.6835 Remote Similarity NPD7213 Phase 3
0.6835 Remote Similarity NPD7212 Phase 2
0.6832 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6829 Remote Similarity NPD2563 Approved
0.6829 Remote Similarity NPD2560 Approved
0.6828 Remote Similarity NPD1608 Approved
0.6826 Remote Similarity NPD1247 Approved
0.6818 Remote Similarity NPD6841 Approved
0.6818 Remote Similarity NPD6843 Phase 3
0.6818 Remote Similarity NPD6842 Approved
0.6818 Remote Similarity NPD289 Clinical (unspecified phase)
0.6812 Remote Similarity NPD1137 Approved
0.6812 Remote Similarity NPD1139 Approved
0.6809 Remote Similarity NPD7340 Approved
0.6803 Remote Similarity NPD2797 Approved
0.6802 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6797 Remote Similarity NPD6895 Approved
0.6797 Remote Similarity NPD6896 Approved
0.6797 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6795 Remote Similarity NPD1652 Phase 2
0.6792 Remote Similarity NPD4123 Phase 3
0.6792 Remote Similarity NPD7004 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   76331995
ChEMBL   CHEMBL3104946
ZINC  

Physicochemical Properties

Molecular Weight:  374.17
ALogP:  -0.4177
MLogP:  3.11
XLogP:  3.855
# Rotatable Bonds:  13
Polar Surface Area:  77.38
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  27

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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