Natural Product: NPC295970

Natural Product ID:  NPC295970
Common Name:   Desmethylyangonine-4'-O-Beta-D-Glucopyranoside
IUPAC Name:   4-methoxy-6-[(E)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]pyran-2-one
Synonyms:  
Molecular Formula:   C20H22O9
Standard InCHIKey:  KXEASOROAFAOHX-ZAHKZPOQSA-N
Standard InCHI:  InChI=1S/C20H22O9/c1-26-14-8-13(27-16(22)9-14)7-4-11-2-5-12(6-3-11)28-20-19(25)18(24)17(23)15(10-21)29-20/h2-9,15,17-21,23-25H,10H2,1H3/b7-4+/t15-,17-,18+,19-,20-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2ccc(cc2)/C=C/c2cc(OC)cc(=O)o2)[C@@H]([C@H]([C@@H]1O)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
NPO25148 Helichrysum italicum Species Asteraceae Eukaryota PMID[24094434]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Activity = 1.157 log10CFU/ml 10.1016/0960-894X(96)00178-3
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Activity = 1.103 log10CFU/ml 23434131
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Activity = 1.055 log10CFU/ml 12762820
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Activity = 1.045 log10CFU/ml 18052327
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa GI = 53 % 26259802

  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 NPC295970 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
0.916 High Similarity NPC166180
0.916 High Similarity NPC103409
0.916 High Similarity NPC37468
0.9134 High Similarity NPC146540
0.9106 High Similarity NPC469412
0.9106 High Similarity NPC198734
0.903 High Similarity NPC476442
0.903 High Similarity NPC215512
0.9024 High Similarity NPC60589
0.9024 High Similarity NPC469708
0.9023 High Similarity NPC100389
0.9008 High Similarity NPC471029
0.8976 High Similarity NPC471157
0.8968 High Similarity NPC287429
0.8963 High Similarity NPC157816
0.896 High Similarity NPC52097
0.896 High Similarity NPC476142
0.8955 High Similarity NPC202700
0.8952 High Similarity NPC269242
0.8947 High Similarity NPC124149
0.8939 High Similarity NPC55040
0.8939 High Similarity NPC185778
0.8915 High Similarity NPC253595
0.8906 High Similarity NPC106677
0.8905 High Similarity NPC85624
0.8905 High Similarity NPC226722
0.8898 High Similarity NPC126991
0.8898 High Similarity NPC83218
0.8897 High Similarity NPC478239
0.8897 High Similarity NPC469367
0.8889 High Similarity NPC186406
0.8889 High Similarity NPC80098
0.888 High Similarity NPC11724
0.8872 High Similarity NPC157554
0.8872 High Similarity NPC186418
0.8837 High Similarity NPC302378
0.8832 High Similarity NPC471028
0.8828 High Similarity NPC252114
0.8824 High Similarity NPC145319
0.88 High Similarity NPC476872
0.8779 High Similarity NPC246869
0.8779 High Similarity NPC138777
0.8779 High Similarity NPC225384
0.8779 High Similarity NPC254819
0.8777 High Similarity NPC97240
0.8777 High Similarity NPC296377
0.8777 High Similarity NPC87950
0.8777 High Similarity NPC471764
0.8777 High Similarity NPC175275
0.8769 High Similarity NPC248355
0.876 High Similarity NPC45224
0.876 High Similarity NPC35288
0.876 High Similarity NPC173150
0.876 High Similarity NPC156692
0.876 High Similarity NPC288416
0.876 High Similarity NPC471882
0.876 High Similarity NPC471881
0.8759 High Similarity NPC302286
0.8759 High Similarity NPC88754
0.8759 High Similarity NPC116104
0.8759 High Similarity NPC263397
0.8759 High Similarity NPC475213
0.8759 High Similarity NPC237872
0.8759 High Similarity NPC152796
0.875 High Similarity NPC79908
0.8741 High Similarity NPC226005
0.8722 High Similarity NPC34456
0.8714 High Similarity NPC96294
0.8714 High Similarity NPC220282
0.8714 High Similarity NPC169510
0.8705 High Similarity NPC199928
0.8705 High Similarity NPC476865
0.8705 High Similarity NPC291153
0.8702 High Similarity NPC472024
0.8702 High Similarity NPC80600
0.8696 High Similarity NPC476867
0.8696 High Similarity NPC292443
0.8696 High Similarity NPC478240
0.8696 High Similarity NPC232228
0.8692 High Similarity NPC225307
0.8686 High Similarity NPC140502
0.8676 High Similarity NPC210478
0.8647 High Similarity NPC294166
0.8647 High Similarity NPC115022
0.8643 High Similarity NPC52740
0.8636 High Similarity NPC9912
0.8636 High Similarity NPC235294
0.8636 High Similarity NPC46137
0.8633 High Similarity NPC476868
0.8633 High Similarity NPC476864
0.8633 High Similarity NPC476869
0.8633 High Similarity NPC476866
0.8626 High Similarity NPC26653
0.8626 High Similarity NPC166040
0.8626 High Similarity NPC270849
0.8615 High Similarity NPC198798
0.8615 High Similarity NPC140750
0.8605 High Similarity NPC470510
0.8593 High Similarity NPC294470
0.8592 High Similarity NPC114740
0.8583 High Similarity NPC226712
0.8582 High Similarity NPC187194
0.8582 High Similarity NPC169398
0.8582 High Similarity NPC93924
0.8582 High Similarity NPC478237
0.8571 High Similarity NPC165686
0.8571 High Similarity NPC26080
0.8571 High Similarity NPC85799
0.8571 High Similarity NPC269421
0.8571 High Similarity NPC37838
0.8571 High Similarity NPC473285
0.8571 High Similarity NPC162093
0.8571 High Similarity NPC303422
0.8561 High Similarity NPC470079
0.8561 High Similarity NPC474491
0.8561 High Similarity NPC110063
0.8551 High Similarity NPC65833
0.8551 High Similarity NPC245219
0.8551 High Similarity NPC31081
0.8538 High Similarity NPC233559
0.8538 High Similarity NPC61181
0.8531 High Similarity NPC213197
0.8521 High Similarity NPC106138
0.8521 High Similarity NPC111785
0.8519 High Similarity NPC238243
0.8519 High Similarity NPC476870
0.8519 High Similarity NPC470236
0.8519 High Similarity NPC212729
0.8511 High Similarity NPC41844
0.8511 High Similarity NPC473149
0.8507 High Similarity NPC469449
0.8507 High Similarity NPC49074
0.8507 High Similarity NPC25821
0.85 High Similarity NPC252292
0.85 High Similarity NPC34927
0.85 High Similarity NPC476382
0.85 High Similarity NPC262182
0.85 High Similarity NPC287615
0.85 High Similarity NPC100998
0.85 High Similarity NPC216819
0.85 High Similarity NPC34587
0.85 High Similarity NPC138915
0.85 High Similarity NPC83743
0.8496 Intermediate Similarity NPC478255
0.8496 Intermediate Similarity NPC29734
0.8496 Intermediate Similarity NPC281798
0.8496 Intermediate Similarity NPC121376
0.8489 Intermediate Similarity NPC242756
0.8485 Intermediate Similarity NPC477293
0.8485 Intermediate Similarity NPC307110
0.8485 Intermediate Similarity NPC477294
0.8485 Intermediate Similarity NPC229784
0.8473 Intermediate Similarity NPC103533
0.8472 Intermediate Similarity NPC215060
0.8472 Intermediate Similarity NPC53587
0.8472 Intermediate Similarity NPC176186
0.8472 Intermediate Similarity NPC476352
0.8472 Intermediate Similarity NPC169404
0.8467 Intermediate Similarity NPC220936
0.8467 Intermediate Similarity NPC49597
0.8467 Intermediate Similarity NPC31745
0.8462 Intermediate Similarity NPC182350
0.8462 Intermediate Similarity NPC100818
0.8462 Intermediate Similarity NPC476871
0.8456 Intermediate Similarity NPC165482
0.8456 Intermediate Similarity NPC197723
0.8456 Intermediate Similarity NPC164857
0.8456 Intermediate Similarity NPC3293
0.8456 Intermediate Similarity NPC40664
0.8456 Intermediate Similarity NPC138350
0.8456 Intermediate Similarity NPC472132
0.8451 Intermediate Similarity NPC308178
0.8444 Intermediate Similarity NPC130496
0.8444 Intermediate Similarity NPC476411
0.8444 Intermediate Similarity NPC188555
0.844 Intermediate Similarity NPC107120
0.844 Intermediate Similarity NPC74320
0.8429 Intermediate Similarity NPC297342
0.8421 Intermediate Similarity NPC113098
0.8414 Intermediate Similarity NPC150442
0.8414 Intermediate Similarity NPC469699
0.8409 Intermediate Similarity NPC232880
0.8409 Intermediate Similarity NPC198487
0.8406 Intermediate Similarity NPC312881
0.84 Intermediate Similarity NPC175771
0.8394 Intermediate Similarity NPC87777
0.8394 Intermediate Similarity NPC262328
0.8394 Intermediate Similarity NPC469364
0.8394 Intermediate Similarity NPC232246
0.8394 Intermediate Similarity NPC470413
0.8394 Intermediate Similarity NPC153818
0.8394 Intermediate Similarity NPC138738
0.8394 Intermediate Similarity NPC65262
0.8394 Intermediate Similarity NPC126206
0.8394 Intermediate Similarity NPC101686
0.8392 Intermediate Similarity NPC313334
0.8392 Intermediate Similarity NPC212670
0.8392 Intermediate Similarity NPC206264
0.8387 Intermediate Similarity NPC313193
0.8382 Intermediate Similarity NPC79957

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC295970 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
0.8583 High Similarity NPD1091 Approved
0.8392 Intermediate Similarity NPD1653 Approved
0.8214 Intermediate Similarity NPD1652 Phase 2
0.8201 Intermediate Similarity NPD7266 Discontinued
0.7967 Intermediate Similarity NPD1358 Approved
0.7867 Intermediate Similarity NPD8455 Phase 2
0.7857 Intermediate Similarity NPD7097 Phase 1
0.7842 Intermediate Similarity NPD4340 Discontinued
0.7842 Intermediate Similarity NPD5124 Phase 1
0.7842 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD6233 Phase 2
0.7795 Intermediate Similarity NPD7843 Approved
0.776 Intermediate Similarity NPD2684 Approved
0.7744 Intermediate Similarity NPD422 Phase 1
0.7742 Intermediate Similarity NPD3134 Approved
0.768 Intermediate Similarity NPD290 Approved
0.7671 Intermediate Similarity NPD5058 Phase 3
0.7655 Intermediate Similarity NPD4628 Phase 3
0.7626 Intermediate Similarity NPD6798 Discontinued
0.7615 Intermediate Similarity NPD7157 Approved
0.7519 Intermediate Similarity NPD5535 Approved
0.75 Intermediate Similarity NPD7054 Approved
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD4536 Approved
0.7483 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD4538 Approved
0.7466 Intermediate Similarity NPD6674 Discontinued
0.7453 Intermediate Similarity NPD7472 Approved
0.7447 Intermediate Similarity NPD4062 Phase 3
0.7445 Intermediate Similarity NPD3225 Approved
0.7442 Intermediate Similarity NPD969 Suspended
0.7431 Intermediate Similarity NPD7033 Discontinued
0.7423 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6797 Phase 2
0.7407 Intermediate Similarity NPD3496 Discontinued
0.7397 Intermediate Similarity NPD2424 Discontinued
0.7394 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD1613 Approved
0.7388 Intermediate Similarity NPD1357 Approved
0.7383 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD7251 Discontinued
0.7362 Intermediate Similarity NPD6559 Discontinued
0.7362 Intermediate Similarity NPD7685 Pre-registration
0.7353 Intermediate Similarity NPD3705 Approved
0.7351 Intermediate Similarity NPD5403 Approved
0.7346 Intermediate Similarity NPD7074 Phase 3
0.7343 Intermediate Similarity NPD6355 Discontinued
0.7338 Intermediate Similarity NPD6801 Discontinued
0.7333 Intermediate Similarity NPD5401 Approved
0.7329 Intermediate Similarity NPD3818 Discontinued
0.7319 Intermediate Similarity NPD8651 Approved
0.7317 Intermediate Similarity NPD7808 Phase 3
0.7313 Intermediate Similarity NPD1548 Phase 1
0.731 Intermediate Similarity NPD5960 Phase 3
0.731 Intermediate Similarity NPD5588 Approved
0.7305 Intermediate Similarity NPD3027 Phase 3
0.7305 Intermediate Similarity NPD7095 Approved
0.7292 Intermediate Similarity NPD6653 Approved
0.729 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD4060 Phase 1
0.7267 Intermediate Similarity NPD6799 Approved
0.7266 Intermediate Similarity NPD2797 Approved
0.7261 Intermediate Similarity NPD7075 Discontinued
0.7246 Intermediate Similarity NPD3685 Discontinued
0.7244 Intermediate Similarity NPD3817 Phase 2
0.7244 Intermediate Similarity NPD9697 Approved
0.7234 Intermediate Similarity NPD4908 Phase 1
0.7233 Intermediate Similarity NPD7199 Phase 2
0.723 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD37 Approved
0.7222 Intermediate Similarity NPD1933 Approved
0.7214 Intermediate Similarity NPD5647 Approved
0.7211 Intermediate Similarity NPD5762 Approved
0.7211 Intermediate Similarity NPD5763 Approved
0.7208 Intermediate Similarity NPD4380 Phase 2
0.7206 Intermediate Similarity NPD1778 Approved
0.7206 Intermediate Similarity NPD6516 Phase 2
0.7206 Intermediate Similarity NPD5846 Approved
0.7197 Intermediate Similarity NPD4966 Approved
0.7197 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD4965 Approved
0.7197 Intermediate Similarity NPD4967 Phase 2
0.7185 Intermediate Similarity NPD1894 Discontinued
0.7183 Intermediate Similarity NPD3180 Approved
0.7183 Intermediate Similarity NPD3179 Approved
0.7163 Intermediate Similarity NPD2861 Phase 2
0.7153 Intermediate Similarity NPD4140 Approved
0.7143 Intermediate Similarity NPD6362 Approved
0.7143 Intermediate Similarity NPD291 Approved
0.7134 Intermediate Similarity NPD5402 Approved
0.7133 Intermediate Similarity NPD3268 Approved
0.7133 Intermediate Similarity NPD6190 Approved
0.7133 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7228 Approved
0.7113 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6234 Discontinued
0.7105 Intermediate Similarity NPD3536 Discontinued
0.7101 Intermediate Similarity NPD1610 Phase 2
0.708 Intermediate Similarity NPD5125 Phase 3
0.708 Intermediate Similarity NPD5126 Approved
0.7068 Intermediate Similarity NPD1241 Discontinued
0.7067 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7066 Intermediate Similarity NPD8312 Approved
0.7066 Intermediate Similarity NPD8313 Approved
0.7059 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD9545 Approved
0.7054 Intermediate Similarity NPD968 Approved
0.7051 Intermediate Similarity NPD7411 Suspended
0.7042 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD3847 Discontinued
0.7027 Intermediate Similarity NPD2240 Approved
0.7027 Intermediate Similarity NPD2239 Approved
0.7023 Intermediate Similarity NPD556 Approved
0.7014 Intermediate Similarity NPD1048 Approved
0.7013 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD5585 Approved
0.7007 Intermediate Similarity NPD5691 Approved
0.7006 Intermediate Similarity NPD1934 Approved
0.6993 Remote Similarity NPD6832 Phase 2
0.6992 Remote Similarity NPD821 Approved
0.6987 Remote Similarity NPD6599 Discontinued
0.6985 Remote Similarity NPD5536 Phase 2
0.698 Remote Similarity NPD1552 Clinical (unspecified phase)
0.698 Remote Similarity NPD6006 Clinical (unspecified phase)
0.698 Remote Similarity NPD6004 Phase 3
0.698 Remote Similarity NPD6005 Phase 3
0.698 Remote Similarity NPD6003 Clinical (unspecified phase)
0.698 Remote Similarity NPD1550 Clinical (unspecified phase)
0.698 Remote Similarity NPD6002 Phase 3
0.6978 Remote Similarity NPD1535 Discovery
0.6968 Remote Similarity NPD3686 Approved
0.6968 Remote Similarity NPD3687 Approved
0.6967 Remote Similarity NPD9365 Approved
0.6962 Remote Similarity NPD7819 Suspended
0.6962 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4626 Approved
0.6954 Remote Similarity NPD4535 Phase 3
0.6954 Remote Similarity NPD3750 Approved
0.6946 Remote Similarity NPD7240 Approved
0.6944 Remote Similarity NPD5163 Phase 2
0.6943 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1549 Phase 2
0.6933 Remote Similarity NPD4534 Discontinued
0.6929 Remote Similarity NPD1481 Phase 2
0.6929 Remote Similarity NPD9717 Approved
0.6929 Remote Similarity NPD1608 Approved
0.6918 Remote Similarity NPD2415 Discontinued
0.6914 Remote Similarity NPD8127 Discontinued
0.6913 Remote Similarity NPD6032 Approved
0.6913 Remote Similarity NPD2796 Approved
0.6901 Remote Similarity NPD987 Approved
0.6901 Remote Similarity NPD3266 Approved
0.6901 Remote Similarity NPD3267 Approved
0.6899 Remote Similarity NPD4433 Discontinued
0.6897 Remote Similarity NPD1296 Phase 2
0.689 Remote Similarity NPD6168 Clinical (unspecified phase)
0.689 Remote Similarity NPD6167 Clinical (unspecified phase)
0.689 Remote Similarity NPD6166 Phase 2
0.6883 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6883 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6879 Remote Similarity NPD2982 Phase 2
0.6879 Remote Similarity NPD2983 Phase 2
0.6871 Remote Similarity NPD3787 Discontinued
0.6871 Remote Similarity NPD5735 Approved
0.6867 Remote Similarity NPD5844 Phase 1
0.6863 Remote Similarity NPD5295 Discontinued
0.6863 Remote Similarity NPD5756 Phase 2
0.6855 Remote Similarity NPD2801 Approved
0.6849 Remote Similarity NPD5745 Approved
0.6846 Remote Similarity NPD3748 Approved
0.6846 Remote Similarity NPD4108 Discontinued
0.6842 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6842 Remote Similarity NPD4110 Phase 3
0.6842 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6838 Remote Similarity NPD6671 Approved
0.6821 Remote Similarity NPD5958 Discontinued
0.6815 Remote Similarity NPD7458 Discontinued
0.6809 Remote Similarity NPD2981 Phase 2
0.6807 Remote Similarity NPD3751 Discontinued
0.6803 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6802 Remote Similarity NPD6841 Approved
0.6802 Remote Similarity NPD6843 Phase 3
0.6802 Remote Similarity NPD6842 Approved
0.68 Remote Similarity NPD1551 Phase 2
0.6797 Remote Similarity NPD2677 Approved
0.6791 Remote Similarity NPD228 Approved
0.6786 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6784 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1818 Approved
0.6783 Remote Similarity NPD1819 Approved
0.6783 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1820 Approved
0.6783 Remote Similarity NPD1817 Approved

Structure

External Identifiers

PubChem CID   73348073
ChEMBL   CHEMBL2442455
ZINC  

Physicochemical Properties

Molecular Weight:  406.13
ALogP:  -1.947
MLogP:  2.67
XLogP:  1.752
# Rotatable Bonds:  11
Polar Surface Area:  134.91
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  29

Download Data

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General Info & Identifiers & Properties  
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Biological Activities  
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