Natural Product: NPC478239

Natural Product ID:  NPC478239
Common Name:   ovatosides D
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H28O11
Standard InCHIKey:  KUIBOIUNNNMZFP-QDEUKNAFSA-N
Standard InCHI:  InChI=1S/C24H28O11/c1-31-17-9-13(3-6-15(17)26)5-8-20(27)33-12-19-21(28)22(29)23(30)24(35-19)34-16-7-4-14(11-25)10-18(16)32-2/h3-10,19,21-26,28-30H,11-12H2,1-2H3/b8-5+/t19?,21-,22-,23-,24?/m0/s1
Canonical SMILES:  OCc1ccc(c(c1)OC)OC1OC(COC(=O)/C=C/c2ccc(c(c2)OC)O)[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
NPO9835 Catalpa ovata Species Bignoniaceae Eukaryota stem bark Medicinal Plant Garden, College of Pharmacy, Ewha Womans University 2013-DEC PMID[28787158]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity IC50 = 0.17 ± 0.03 µM 28787158

  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 NPC478239 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
0.9926 High Similarity NPC157816
0.9852 High Similarity NPC186406
0.9783 High Similarity NPC199928
0.9781 High Similarity NPC232228
0.9779 High Similarity NPC140502
0.9704 High Similarity NPC100389
0.964 High Similarity NPC476865
0.9638 High Similarity NPC292443
0.9632 High Similarity NPC202700
0.9574 High Similarity NPC106138
0.9568 High Similarity NPC476868
0.9568 High Similarity NPC34927
0.9568 High Similarity NPC476382
0.9568 High Similarity NPC34587
0.9568 High Similarity NPC476864
0.9568 High Similarity NPC100998
0.9568 High Similarity NPC252292
0.9568 High Similarity NPC476866
0.9568 High Similarity NPC476869
0.9556 High Similarity NPC157554
0.9556 High Similarity NPC37468
0.9556 High Similarity NPC186418
0.9504 High Similarity NPC478237
0.9496 High Similarity NPC110063
0.9496 High Similarity NPC476867
0.9485 High Similarity NPC126206
0.9433 High Similarity NPC232992
0.9429 High Similarity NPC83743
0.9429 High Similarity NPC287615
0.9429 High Similarity NPC216819
0.9429 High Similarity NPC262182
0.9416 High Similarity NPC226005
0.9412 High Similarity NPC471664
0.9412 High Similarity NPC471665
0.9343 High Similarity NPC470413
0.9343 High Similarity NPC138738
0.9301 High Similarity NPC471062
0.9301 High Similarity NPC473427
0.9301 High Similarity NPC306890
0.9301 High Similarity NPC111785
0.9301 High Similarity NPC470933
0.9301 High Similarity NPC259347
0.9301 High Similarity NPC476398
0.9301 High Similarity NPC94871
0.9301 High Similarity NPC476386
0.9265 High Similarity NPC287597
0.9265 High Similarity NPC34293
0.9265 High Similarity NPC135127
0.9265 High Similarity NPC886
0.9247 High Similarity NPC194095
0.9247 High Similarity NPC191046
0.9247 High Similarity NPC327032
0.9236 High Similarity NPC188393
0.9236 High Similarity NPC470927
0.9236 High Similarity NPC470934
0.9236 High Similarity NPC257970
0.9236 High Similarity NPC476871
0.9231 High Similarity NPC199311
0.9231 High Similarity NPC210611
0.9231 High Similarity NPC192763
0.9231 High Similarity NPC3460
0.9231 High Similarity NPC80732
0.9231 High Similarity NPC215095
0.9231 High Similarity NPC201148
0.9231 High Similarity NPC261122
0.9231 High Similarity NPC93924
0.9231 High Similarity NPC300262
0.9231 High Similarity NPC28651
0.9214 High Similarity NPC145319
0.9203 High Similarity NPC78363
0.9197 High Similarity NPC55040
0.9197 High Similarity NPC476870
0.9178 High Similarity NPC150442
0.9172 High Similarity NPC213197
0.9167 High Similarity NPC90896
0.9167 High Similarity NPC478242
0.9167 High Similarity NPC283839
0.9161 High Similarity NPC41844
0.9143 High Similarity NPC476385
0.9143 High Similarity NPC134405
0.9137 High Similarity NPC476383
0.9137 High Similarity NPC197316
0.9137 High Similarity NPC64141
0.9137 High Similarity NPC68092
0.9137 High Similarity NPC212770
0.9137 High Similarity NPC89105
0.9137 High Similarity NPC98777
0.9137 High Similarity NPC81515
0.9137 High Similarity NPC472350
0.913 High Similarity NPC199459
0.913 High Similarity NPC166180
0.913 High Similarity NPC52277
0.913 High Similarity NPC177035
0.9124 High Similarity NPC187194
0.9122 High Similarity NPC11411
0.9122 High Similarity NPC471405
0.9118 High Similarity NPC473285
0.911 High Similarity NPC53587
0.911 High Similarity NPC134905
0.911 High Similarity NPC36130
0.911 High Similarity NPC176186
0.911 High Similarity NPC478268
0.911 High Similarity NPC169404
0.9085 High Similarity NPC297342
0.9078 High Similarity NPC475084
0.9078 High Similarity NPC189115
0.9078 High Similarity NPC265648
0.9078 High Similarity NPC469559
0.9078 High Similarity NPC222433
0.9071 High Similarity NPC106944
0.9065 High Similarity NPC59324
0.9065 High Similarity NPC124149
0.9065 High Similarity NPC260425
0.9065 High Similarity NPC65530
0.906 High Similarity NPC133984
0.9058 High Similarity NPC214729
0.9054 High Similarity NPC10205
0.9048 High Similarity NPC157898
0.9044 High Similarity NPC65942
0.9044 High Similarity NPC248307
0.9041 High Similarity NPC85192
0.9041 High Similarity NPC7145
0.9041 High Similarity NPC125823
0.9041 High Similarity NPC143480
0.9037 High Similarity NPC248355
0.9037 High Similarity NPC307110
0.9037 High Similarity NPC166040
0.9037 High Similarity NPC477294
0.9037 High Similarity NPC477293
0.9037 High Similarity NPC229784
0.9034 High Similarity NPC212670
0.9034 High Similarity NPC313334
0.9034 High Similarity NPC206264
0.9021 High Similarity NPC143120
0.9021 High Similarity NPC473909
0.9021 High Similarity NPC274960
0.9014 High Similarity NPC185307
0.9014 High Similarity NPC46092
0.9014 High Similarity NPC470950
0.9007 High Similarity NPC469661
0.9007 High Similarity NPC47471
0.9007 High Similarity NPC476377
0.9 High Similarity NPC289811
0.9 High Similarity NPC478269
0.9 High Similarity NPC205195
0.9 High Similarity NPC321184
0.9 High Similarity NPC321638
0.9 High Similarity NPC171134
0.9 High Similarity NPC160780
0.9 High Similarity NPC328273
0.8993 High Similarity NPC228357
0.8993 High Similarity NPC203230
0.8993 High Similarity NPC242028
0.8986 High Similarity NPC237594
0.8986 High Similarity NPC476387
0.8986 High Similarity NPC119060
0.8986 High Similarity NPC35731
0.8986 High Similarity NPC476411
0.8986 High Similarity NPC249791
0.898 High Similarity NPC472612
0.898 High Similarity NPC472611
0.898 High Similarity NPC476352
0.898 High Similarity NPC289967
0.898 High Similarity NPC215060
0.8971 High Similarity NPC80600
0.8971 High Similarity NPC472024
0.8966 High Similarity NPC187398
0.8966 High Similarity NPC476348
0.8966 High Similarity NPC96294
0.8963 High Similarity NPC232880
0.8963 High Similarity NPC302378
0.8951 High Similarity NPC25292
0.8951 High Similarity NPC283995
0.8951 High Similarity NPC473045
0.8951 High Similarity NPC470235
0.8951 High Similarity NPC129417
0.8944 High Similarity NPC473792
0.8944 High Similarity NPC278469
0.8944 High Similarity NPC193722
0.8944 High Similarity NPC476356
0.8944 High Similarity NPC473873
0.894 High Similarity NPC44507
0.894 High Similarity NPC239966
0.894 High Similarity NPC203020
0.8936 High Similarity NPC210478
0.8936 High Similarity NPC473799
0.8936 High Similarity NPC475530
0.8933 High Similarity NPC223335
0.8933 High Similarity NPC40920
0.8933 High Similarity NPC1913
0.8929 High Similarity NPC476376
0.8921 High Similarity NPC185778
0.8919 High Similarity NPC299706
0.8919 High Similarity NPC115466
0.8919 High Similarity NPC245615
0.8919 High Similarity NPC137813
0.8919 High Similarity NPC61604
0.8913 High Similarity NPC25821
0.8913 High Similarity NPC254398
0.8913 High Similarity NPC6836

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478239 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
0.9137 High Similarity NPD7266 Discontinued
0.9034 High Similarity NPD1653 Approved
0.8227 Intermediate Similarity NPD3027 Phase 3
0.8199 Intermediate Similarity NPD7054 Approved
0.8182 Intermediate Similarity NPD1613 Approved
0.8182 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.816 Intermediate Similarity NPD7685 Pre-registration
0.8148 Intermediate Similarity NPD7472 Approved
0.8148 Intermediate Similarity NPD7074 Phase 3
0.8137 Intermediate Similarity NPD3818 Discontinued
0.811 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8058 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.8043 Intermediate Similarity NPD1091 Approved
0.8025 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD6190 Approved
0.7988 Intermediate Similarity NPD6797 Phase 2
0.7939 Intermediate Similarity NPD7251 Discontinued
0.7925 Intermediate Similarity NPD6234 Discontinued
0.7914 Intermediate Similarity NPD7228 Approved
0.7902 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD7808 Phase 3
0.7867 Intermediate Similarity NPD6674 Discontinued
0.7862 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD1934 Approved
0.7834 Intermediate Similarity NPD37 Approved
0.7832 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7799 Intermediate Similarity NPD4966 Approved
0.7799 Intermediate Similarity NPD4967 Phase 2
0.7799 Intermediate Similarity NPD4965 Approved
0.7725 Intermediate Similarity NPD6559 Discontinued
0.7716 Intermediate Similarity NPD7199 Phase 2
0.7698 Intermediate Similarity NPD1357 Approved
0.7697 Intermediate Similarity NPD4628 Phase 3
0.7683 Intermediate Similarity NPD6166 Phase 2
0.7683 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD8455 Phase 2
0.7673 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD3705 Approved
0.7647 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD3817 Phase 2
0.7568 Intermediate Similarity NPD4060 Phase 1
0.7562 Intermediate Similarity NPD2801 Approved
0.756 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD5536 Phase 2
0.7545 Intermediate Similarity NPD5844 Phase 1
0.7517 Intermediate Similarity NPD1933 Approved
0.7517 Intermediate Similarity NPD4340 Discontinued
0.7516 Intermediate Similarity NPD1652 Phase 2
0.7515 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6233 Phase 2
0.75 Intermediate Similarity NPD228 Approved
0.7484 Intermediate Similarity NPD5058 Phase 3
0.7469 Intermediate Similarity NPD3882 Suspended
0.7466 Intermediate Similarity NPD2861 Phase 2
0.7453 Intermediate Similarity NPD1465 Phase 2
0.744 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7427 Intermediate Similarity NPD8312 Approved
0.7427 Intermediate Similarity NPD8313 Approved
0.7423 Intermediate Similarity NPD7075 Discontinued
0.7417 Intermediate Similarity NPD7097 Phase 1
0.7412 Intermediate Similarity NPD7240 Approved
0.74 Intermediate Similarity NPD230 Phase 1
0.7394 Intermediate Similarity NPD8127 Discontinued
0.7365 Intermediate Similarity NPD7095 Approved
0.7358 Intermediate Similarity NPD3686 Approved
0.7358 Intermediate Similarity NPD3687 Approved
0.7346 Intermediate Similarity NPD2977 Approved
0.7346 Intermediate Similarity NPD2978 Approved
0.7343 Intermediate Similarity NPD3496 Discontinued
0.7333 Intermediate Similarity NPD1358 Approved
0.7333 Intermediate Similarity NPD1558 Phase 1
0.7325 Intermediate Similarity NPD1511 Approved
0.7315 Intermediate Similarity NPD6798 Discontinued
0.7314 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD2982 Phase 2
0.731 Intermediate Similarity NPD2983 Phase 2
0.7303 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD4536 Approved
0.7303 Intermediate Similarity NPD4538 Approved
0.7301 Intermediate Similarity NPD5402 Approved
0.7297 Intermediate Similarity NPD4908 Phase 1
0.7292 Intermediate Similarity NPD422 Phase 1
0.729 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD447 Suspended
0.7285 Intermediate Similarity NPD5124 Phase 1
0.7285 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD4380 Phase 2
0.7266 Intermediate Similarity NPD5283 Phase 1
0.7244 Intermediate Similarity NPD4110 Phase 3
0.7244 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2981 Phase 2
0.7239 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD6653 Approved
0.7233 Intermediate Similarity NPD1512 Approved
0.723 Intermediate Similarity NPD3018 Phase 2
0.723 Intermediate Similarity NPD9494 Approved
0.7219 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD3620 Phase 2
0.7209 Intermediate Similarity NPD7038 Approved
0.7209 Intermediate Similarity NPD7039 Approved
0.72 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD7843 Approved
0.7194 Intermediate Similarity NPD5535 Approved
0.7188 Intermediate Similarity NPD5403 Approved
0.7179 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD6801 Discontinued
0.7176 Intermediate Similarity NPD3751 Discontinued
0.7172 Intermediate Similarity NPD1610 Phase 2
0.7171 Intermediate Similarity NPD6355 Discontinued
0.7168 Intermediate Similarity NPD7549 Discontinued
0.7163 Intermediate Similarity NPD7157 Approved
0.7161 Intermediate Similarity NPD5763 Approved
0.7161 Intermediate Similarity NPD5762 Approved
0.7159 Intermediate Similarity NPD6843 Phase 3
0.7159 Intermediate Similarity NPD6842 Approved
0.7159 Intermediate Similarity NPD6841 Approved
0.7153 Intermediate Similarity NPD2684 Approved
0.7152 Intermediate Similarity NPD4062 Phase 3
0.7143 Intermediate Similarity NPD7033 Discontinued
0.7143 Intermediate Similarity NPD6232 Discontinued
0.7143 Intermediate Similarity NPD5960 Phase 3
0.7143 Intermediate Similarity NPD5588 Approved
0.7143 Intermediate Similarity NPD3225 Approved
0.7135 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7819 Suspended
0.7133 Intermediate Similarity NPD1548 Phase 1
0.7132 Intermediate Similarity NPD3134 Approved
0.7125 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD4357 Discontinued
0.7107 Intermediate Similarity NPD6799 Approved
0.7105 Intermediate Similarity NPD4140 Approved
0.7097 Intermediate Similarity NPD2935 Discontinued
0.7088 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5585 Approved
0.708 Intermediate Similarity NPD290 Approved
0.7078 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD3060 Approved
0.7063 Intermediate Similarity NPD5401 Approved
0.7063 Intermediate Similarity NPD3536 Discontinued
0.7063 Intermediate Similarity NPD4123 Phase 3
0.7063 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD1375 Discontinued
0.7041 Intermediate Similarity NPD3787 Discontinued
0.7034 Intermediate Similarity NPD1778 Approved
0.7027 Intermediate Similarity NPD7680 Approved
0.7025 Intermediate Similarity NPD8166 Discontinued
0.7025 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD3750 Approved
0.7024 Intermediate Similarity NPD5494 Approved
0.7018 Intermediate Similarity NPD7473 Discontinued
0.7012 Intermediate Similarity NPD7411 Suspended
0.7012 Intermediate Similarity NPD6385 Approved
0.7012 Intermediate Similarity NPD6386 Approved
0.7007 Intermediate Similarity NPD968 Approved
0.7007 Intermediate Similarity NPD1608 Approved
0.7006 Intermediate Similarity NPD1549 Phase 2
0.7006 Intermediate Similarity NPD2424 Discontinued
0.6994 Remote Similarity NPD3455 Phase 2
0.6989 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6032 Approved
0.6987 Remote Similarity NPD1551 Phase 2
0.698 Remote Similarity NPD2797 Approved
0.6978 Remote Similarity NPD3022 Approved
0.6978 Remote Similarity NPD3021 Approved
0.697 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6963 Remote Similarity NPD291 Approved
0.6962 Remote Similarity NPD4162 Approved
0.6962 Remote Similarity NPD4237 Approved
0.6962 Remote Similarity NPD4236 Phase 3
0.6951 Remote Similarity NPD4678 Approved
0.6951 Remote Similarity NPD4675 Approved
0.6943 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6943 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6943 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1535 Discovery
0.6933 Remote Similarity NPD6584 Phase 3
0.6928 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6671 Approved
0.6923 Remote Similarity NPD4108 Discontinued
0.6918 Remote Similarity NPD5126 Approved
0.6918 Remote Similarity NPD5846 Approved
0.6918 Remote Similarity NPD5125 Phase 3
0.6918 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6918 Remote Similarity NPD4626 Approved
0.6918 Remote Similarity NPD6516 Phase 2
0.6914 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6914 Remote Similarity NPD6273 Approved
0.6913 Remote Similarity NPD8651 Approved
0.6908 Remote Similarity NPD4625 Phase 3
0.6905 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6903 Remote Similarity NPD2492 Phase 1
0.6897 Remote Similarity NPD9545 Approved
0.6897 Remote Similarity NPD1894 Discontinued
0.6892 Remote Similarity NPD1481 Phase 2
0.689 Remote Similarity NPD3866 Clinical (unspecified phase)
0.689 Remote Similarity NPD7458 Discontinued

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  492.16
ALogP:  -2.4895
MLogP:  2.89
XLogP:  0.883
# Rotatable Bonds:  17
Polar Surface Area:  164.37
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs