Natural Product: NPC478242

Natural Product ID:  NPC478242
Common Name:   ovatosides E
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H32O11
Standard InCHIKey:  BKFAUDLKZMJAGC-SLMSKRRMSA-N
Standard InCHI:  InChI=1S/C24H32O11/c1-32-17-12-14(2-4-16(17)26)3-5-19(27)34-13-18-20(28)21(29)22(30)23(35-18)33-11-10-24(31)8-6-15(25)7-9-24/h2-5,12,18,20-23,26,28-31H,6-11,13H2,1H3/b5-3+/t18?,20-,21-,22-,23?/m0/s1
Canonical SMILES:  COc1cc(/C=C/C(=O)OCC2OC(OCCC3(O)CCC(=O)CC3)[C@H]([C@H]([C@H]2O)O)O)ccc1O
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 = 1.02 ± 0.06 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 NPC478242 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
0.9366 High Similarity NPC140502
0.9333 High Similarity NPC226759
0.9306 High Similarity NPC252292
0.9306 High Similarity NPC476382
0.9306 High Similarity NPC34927
0.9306 High Similarity NPC100998
0.9306 High Similarity NPC34587
0.9267 High Similarity NPC471405
0.9236 High Similarity NPC110063
0.92 High Similarity NPC10205
0.92 High Similarity NPC131532
0.9178 High Similarity NPC232992
0.9167 High Similarity NPC478239
0.9149 High Similarity NPC157554
0.9145 High Similarity NPC469654
0.9133 High Similarity NPC194095
0.9133 High Similarity NPC327032
0.9133 High Similarity NPC191046
0.9128 High Similarity NPC203664
0.9122 High Similarity NPC188393
0.9122 High Similarity NPC470934
0.9097 High Similarity NPC157816
0.9085 High Similarity NPC44507
0.9079 High Similarity NPC40920
0.9079 High Similarity NPC223335
0.9079 High Similarity NPC472860
0.9073 High Similarity NPC38699
0.9067 High Similarity NPC157898
0.9067 High Similarity NPC245615
0.9067 High Similarity NPC61604
0.9067 High Similarity NPC299706
0.9067 High Similarity NPC44730
0.9067 High Similarity NPC115466
0.9067 High Similarity NPC137813
0.9054 High Similarity NPC111785
0.9054 High Similarity NPC473427
0.9054 High Similarity NPC476386
0.9054 High Similarity NPC470933
0.9054 High Similarity NPC471062
0.9054 High Similarity NPC476398
0.9054 High Similarity NPC306890
0.9054 High Similarity NPC94871
0.9054 High Similarity NPC106138
0.9054 High Similarity NPC259347
0.9041 High Similarity NPC262182
0.9041 High Similarity NPC287615
0.9041 High Similarity NPC83743
0.9041 High Similarity NPC216819
0.9028 High Similarity NPC186406
0.9021 High Similarity NPC226005
0.9021 High Similarity NPC100389
0.902 High Similarity NPC469384
0.9013 High Similarity NPC163635
0.9 High Similarity NPC134905
0.9 High Similarity NPC36130
0.8993 High Similarity NPC205054
0.8993 High Similarity NPC257970
0.8993 High Similarity NPC470927
0.8986 High Similarity NPC116229
0.898 High Similarity NPC476865
0.898 High Similarity NPC199928
0.8973 High Similarity NPC232228
0.8966 High Similarity NPC296643
0.8961 High Similarity NPC239966
0.8961 High Similarity NPC203020
0.8958 High Similarity NPC202700
0.8954 High Similarity NPC286919
0.8954 High Similarity NPC133984
0.8954 High Similarity NPC475663
0.894 High Similarity NPC87403
0.8912 High Similarity NPC476864
0.8912 High Similarity NPC476868
0.8912 High Similarity NPC476866
0.8912 High Similarity NPC476869
0.8897 High Similarity NPC134405
0.8897 High Similarity NPC476385
0.8896 High Similarity NPC179914
0.8896 High Similarity NPC289811
0.8896 High Similarity NPC160780
0.8889 High Similarity NPC81515
0.8889 High Similarity NPC197316
0.8889 High Similarity NPC89105
0.8889 High Similarity NPC228357
0.8889 High Similarity NPC64141
0.8889 High Similarity NPC476383
0.8889 High Similarity NPC328273
0.8889 High Similarity NPC68092
0.8889 High Similarity NPC321638
0.8889 High Similarity NPC472350
0.8889 High Similarity NPC321184
0.8889 High Similarity NPC171134
0.8881 High Similarity NPC186418
0.8881 High Similarity NPC177035
0.8881 High Similarity NPC37468
0.8881 High Similarity NPC52277
0.8881 High Similarity NPC199459
0.8874 High Similarity NPC478268
0.8873 High Similarity NPC35731
0.8873 High Similarity NPC34293
0.8873 High Similarity NPC135127
0.8873 High Similarity NPC886
0.8873 High Similarity NPC287597
0.8867 High Similarity NPC158635
0.8867 High Similarity NPC229882
0.8859 High Similarity NPC3460
0.8859 High Similarity NPC215095
0.8859 High Similarity NPC192763
0.8859 High Similarity NPC199311
0.8859 High Similarity NPC201148
0.8859 High Similarity NPC210611
0.8859 High Similarity NPC300262
0.8859 High Similarity NPC261122
0.8859 High Similarity NPC80732
0.8859 High Similarity NPC28651
0.8854 High Similarity NPC180586
0.8851 High Similarity NPC98356
0.8844 High Similarity NPC476867
0.8844 High Similarity NPC292443
0.8844 High Similarity NPC297342
0.8836 High Similarity NPC265648
0.8836 High Similarity NPC222433
0.8831 High Similarity NPC1913
0.8819 High Similarity NPC78363
0.8819 High Similarity NPC260425
0.8819 High Similarity NPC304152
0.8819 High Similarity NPC126206
0.8819 High Similarity NPC138738
0.8819 High Similarity NPC470413
0.8808 High Similarity NPC269914
0.8808 High Similarity NPC478249
0.88 High Similarity NPC283839
0.88 High Similarity NPC98809
0.88 High Similarity NPC476394
0.88 High Similarity NPC90896
0.8794 High Similarity NPC248307
0.8794 High Similarity NPC65942
0.879 High Similarity NPC227297
0.8782 High Similarity NPC311803
0.8782 High Similarity NPC472859
0.8782 High Similarity NPC25389
0.8767 High Similarity NPC47471
0.8767 High Similarity NPC476377
0.8766 High Similarity NPC478055
0.8759 High Similarity NPC205195
0.8759 High Similarity NPC220942
0.875 High Similarity NPC106818
0.875 High Similarity NPC471665
0.875 High Similarity NPC471664
0.8742 High Similarity NPC116745
0.8741 High Similarity NPC471110
0.8741 High Similarity NPC470881
0.8733 High Similarity NPC28776
0.8733 High Similarity NPC478237
0.8733 High Similarity NPC473138
0.8733 High Similarity NPC472969
0.8732 High Similarity NPC473285
0.8726 High Similarity NPC476011
0.8726 High Similarity NPC246024
0.8726 High Similarity NPC285108
0.8726 High Similarity NPC33298
0.8726 High Similarity NPC148273
0.8725 High Similarity NPC473867
0.8718 High Similarity NPC119125
0.8718 High Similarity NPC166277
0.8716 High Similarity NPC296954
0.8716 High Similarity NPC196063
0.8716 High Similarity NPC300894
0.8716 High Similarity NPC141455
0.8699 High Similarity NPC288452
0.8699 High Similarity NPC473799
0.8699 High Similarity NPC289690
0.8699 High Similarity NPC475530
0.8693 High Similarity NPC146277
0.8693 High Similarity NPC19380
0.8693 High Similarity NPC310661
0.8693 High Similarity NPC105827
0.869 High Similarity NPC476376
0.8688 High Similarity NPC21956
0.8684 High Similarity NPC143480
0.8684 High Similarity NPC7145
0.8684 High Similarity NPC125823
0.8684 High Similarity NPC85192
0.8684 High Similarity NPC140151
0.8681 High Similarity NPC123988
0.8681 High Similarity NPC476870
0.8671 High Similarity NPC254398
0.8671 High Similarity NPC475468
0.8671 High Similarity NPC6836
0.8667 High Similarity NPC221383
0.8667 High Similarity NPC143892
0.8667 High Similarity NPC299090
0.8667 High Similarity NPC283081
0.8654 High Similarity NPC74319
0.8654 High Similarity NPC76211
0.8654 High Similarity NPC287872
0.8652 High Similarity NPC307110
0.8652 High Similarity NPC477294
0.8652 High Similarity NPC229784
0.8652 High Similarity NPC477293
0.8649 High Similarity NPC40305

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478242 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
0.8889 High Similarity NPD7266 Discontinued
0.8528 High Similarity NPD7685 Pre-registration
0.8431 Intermediate Similarity NPD1653 Approved
0.8344 Intermediate Similarity NPD7054 Approved
0.8293 Intermediate Similarity NPD7472 Approved
0.8293 Intermediate Similarity NPD7074 Phase 3
0.8282 Intermediate Similarity NPD7228 Approved
0.8282 Intermediate Similarity NPD3818 Discontinued
0.8278 Intermediate Similarity NPD6190 Approved
0.8253 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD6234 Discontinued
0.817 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD37 Approved
0.8084 Intermediate Similarity NPD7251 Discontinued
0.8063 Intermediate Similarity NPD4967 Phase 2
0.8063 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD4965 Approved
0.8063 Intermediate Similarity NPD4966 Approved
0.8036 Intermediate Similarity NPD7808 Phase 3
0.8024 Intermediate Similarity NPD6797 Phase 2
0.7972 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7901 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7891 Intermediate Similarity NPD3027 Phase 3
0.7875 Intermediate Similarity NPD1934 Approved
0.7765 Intermediate Similarity NPD7240 Approved
0.7765 Intermediate Similarity NPD6559 Discontinued
0.7759 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD6166 Phase 2
0.7716 Intermediate Similarity NPD2801 Approved
0.7716 Intermediate Similarity NPD8455 Phase 2
0.7716 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7706 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7682 Intermediate Similarity NPD230 Phase 1
0.7674 Intermediate Similarity NPD8312 Approved
0.7674 Intermediate Similarity NPD8313 Approved
0.767 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7669 Intermediate Similarity NPD3817 Phase 2
0.7651 Intermediate Similarity NPD7199 Phase 2
0.7628 Intermediate Similarity NPD4628 Phase 3
0.7622 Intermediate Similarity NPD3882 Suspended
0.7616 Intermediate Similarity NPD1613 Approved
0.7616 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD7097 Phase 1
0.7576 Intermediate Similarity NPD7075 Discontinued
0.7564 Intermediate Similarity NPD6674 Discontinued
0.7545 Intermediate Similarity NPD8127 Discontinued
0.7531 Intermediate Similarity NPD4380 Phase 2
0.7517 Intermediate Similarity NPD9494 Approved
0.7516 Intermediate Similarity NPD8166 Discontinued
0.75 Intermediate Similarity NPD1465 Phase 2
0.7485 Intermediate Similarity NPD5844 Phase 1
0.7483 Intermediate Similarity NPD5536 Phase 2
0.7471 Intermediate Similarity NPD7473 Discontinued
0.7466 Intermediate Similarity NPD1091 Approved
0.7466 Intermediate Similarity NPD3705 Approved
0.7456 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD5402 Approved
0.7434 Intermediate Similarity NPD6233 Phase 2
0.7427 Intermediate Similarity NPD3751 Discontinued
0.7418 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD6232 Discontinued
0.7394 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD1357 Approved
0.7378 Intermediate Similarity NPD6386 Approved
0.7378 Intermediate Similarity NPD6385 Approved
0.7375 Intermediate Similarity NPD1511 Approved
0.7351 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD7680 Approved
0.7338 Intermediate Similarity NPD1933 Approved
0.7338 Intermediate Similarity NPD447 Suspended
0.733 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7028 Phase 2
0.7305 Intermediate Similarity NPD228 Approved
0.7303 Intermediate Similarity NPD7095 Approved
0.7296 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7296 Intermediate Similarity NPD4110 Phase 3
0.7294 Intermediate Similarity NPD3787 Discontinued
0.729 Intermediate Similarity NPD6653 Approved
0.7289 Intermediate Similarity NPD7819 Suspended
0.7285 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD1512 Approved
0.7261 Intermediate Similarity NPD2935 Discontinued
0.7258 Intermediate Similarity NPD7435 Discontinued
0.7256 Intermediate Similarity NPD7458 Discontinued
0.7255 Intermediate Similarity NPD6798 Discontinued
0.7255 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD5353 Approved
0.7239 Intermediate Similarity NPD5403 Approved
0.7233 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD6801 Discontinued
0.7226 Intermediate Similarity NPD6355 Discontinued
0.7197 Intermediate Similarity NPD7033 Discontinued
0.7176 Intermediate Similarity NPD5494 Approved
0.717 Intermediate Similarity NPD2424 Discontinued
0.716 Intermediate Similarity NPD6799 Approved
0.7159 Intermediate Similarity NPD7038 Approved
0.7159 Intermediate Similarity NPD7039 Approved
0.7152 Intermediate Similarity NPD3455 Phase 2
0.7143 Intermediate Similarity NPD3764 Approved
0.7125 Intermediate Similarity NPD1652 Phase 2
0.7117 Intermediate Similarity NPD5401 Approved
0.7112 Intermediate Similarity NPD6823 Phase 2
0.7099 Intermediate Similarity NPD5058 Phase 3
0.7097 Intermediate Similarity NPD6776 Approved
0.7097 Intermediate Similarity NPD6779 Approved
0.7097 Intermediate Similarity NPD6782 Approved
0.7097 Intermediate Similarity NPD6781 Approved
0.7097 Intermediate Similarity NPD4062 Phase 3
0.7097 Intermediate Similarity NPD6780 Approved
0.7097 Intermediate Similarity NPD6777 Approved
0.7097 Intermediate Similarity NPD6778 Approved
0.7091 Intermediate Similarity NPD3687 Approved
0.7091 Intermediate Similarity NPD3686 Approved
0.7083 Intermediate Similarity NPD2978 Approved
0.7083 Intermediate Similarity NPD2977 Approved
0.7081 Intermediate Similarity NPD3750 Approved
0.7075 Intermediate Similarity NPD9545 Approved
0.7068 Intermediate Similarity NPD8151 Discontinued
0.7066 Intermediate Similarity NPD7411 Suspended
0.7063 Intermediate Similarity NPD1549 Phase 2
0.7056 Intermediate Similarity NPD8434 Phase 2
0.7055 Intermediate Similarity NPD4357 Discontinued
0.7051 Intermediate Similarity NPD4060 Phase 1
0.7051 Intermediate Similarity NPD3620 Phase 2
0.7051 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7874 Approved
0.7025 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD1358 Approved
0.7017 Intermediate Similarity NPD6843 Phase 3
0.7017 Intermediate Similarity NPD6841 Approved
0.7017 Intermediate Similarity NPD6842 Approved
0.7012 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4340 Discontinued
0.7006 Intermediate Similarity NPD5124 Phase 1
0.7 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.6993 Remote Similarity NPD5647 Approved
0.6984 Remote Similarity NPD7696 Phase 3
0.6984 Remote Similarity NPD7697 Approved
0.6984 Remote Similarity NPD7698 Approved
0.6981 Remote Similarity NPD1510 Phase 2
0.697 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6966 Remote Similarity NPD5283 Phase 1
0.6964 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6961 Remote Similarity NPD8150 Discontinued
0.6957 Remote Similarity NPD970 Clinical (unspecified phase)
0.6954 Remote Similarity NPD1608 Approved
0.6954 Remote Similarity NPD9269 Phase 2
0.6954 Remote Similarity NPD5242 Approved
0.6948 Remote Similarity NPD2861 Phase 2
0.6947 Remote Similarity NPD7870 Phase 2
0.6947 Remote Similarity NPD7871 Phase 2
0.6946 Remote Similarity NPD3226 Approved
0.6943 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6941 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6937 Remote Similarity NPD2438 Suspended
0.6937 Remote Similarity NPD6099 Approved
0.6937 Remote Similarity NPD6100 Approved
0.6933 Remote Similarity NPD3496 Discontinued
0.6928 Remote Similarity NPD2797 Approved
0.6927 Remote Similarity NPD7701 Phase 2
0.6923 Remote Similarity NPD3268 Approved
0.6909 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6908 Remote Similarity NPD2982 Phase 2
0.6908 Remote Similarity NPD2983 Phase 2
0.6907 Remote Similarity NPD7783 Phase 2
0.6907 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6599 Discontinued
0.6903 Remote Similarity NPD6832 Phase 2
0.6902 Remote Similarity NPD7296 Approved
0.6901 Remote Similarity NPD7768 Phase 2
0.6897 Remote Similarity NPD7843 Approved
0.6894 Remote Similarity NPD5763 Approved
0.6894 Remote Similarity NPD2346 Discontinued
0.6894 Remote Similarity NPD5762 Approved
0.6887 Remote Similarity NPD422 Phase 1
0.6887 Remote Similarity NPD1535 Discovery
0.6875 Remote Similarity NPD2799 Discontinued
0.6871 Remote Similarity NPD7157 Approved
0.6867 Remote Similarity NPD1778 Approved
0.6867 Remote Similarity NPD6273 Approved
0.6863 Remote Similarity NPD3225 Approved
0.686 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6859 Remote Similarity NPD8319 Approved
0.6859 Remote Similarity NPD8320 Phase 1
0.6849 Remote Similarity NPD1241 Discontinued
0.6846 Remote Similarity NPD1894 Discontinued
0.6845 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6842 Remote Similarity NPD2981 Phase 2
0.6842 Remote Similarity NPD1481 Phase 2
0.6839 Remote Similarity NPD3018 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  496.19
ALogP:  -2.6936
MLogP:  2.89
XLogP:  -0.164
# Rotatable Bonds:  16
Polar Surface Area:  172.21
# H-Bond Aceptor:  9
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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