Natural Product: NPC478265

Natural Product ID:  NPC478265
Common Name:   6,10-O-di-trans-feruloyl catalpol
IUPAC Name:  
Synonyms:  
Molecular Formula:   C35H38O16
Standard InCHIKey:  XMOZWQJRCSHFGS-ILRYZDCVSA-N
Standard InCHI:  InChI=1S/C35H38O16/c1-44-22-13-17(3-7-20(22)37)5-9-25(39)47-16-35-27-19(11-12-46-33(27)50-34-30(43)29(42)28(41)24(15-36)48-34)31(32(35)51-35)49-26(40)10-6-18-4-8-21(38)23(14-18)45-2/h3-14,19,24,27-34,36-38,41-43H,15-16H2,1-2H3/b9-5+,10-6+/t19-,24?,27-,28+,29?,30+,31+,32+,33+,34+,35-/m1/s1
Canonical SMILES:  OCC1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)/C=C/c4ccc(c(c4)OC)O)O[C@H]2[C@H]3OC(=O)/C=C/c2ccc(c(c2)OC)O)[C@H](C([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 = 0.88 ± 0.05 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 NPC478265 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
0.9671 High Similarity NPC478266
0.9603 High Similarity NPC89693
0.9603 High Similarity NPC229548
0.9603 High Similarity NPC478241
0.947 High Similarity NPC269914
0.947 High Similarity NPC478249
0.9416 High Similarity NPC478248
0.9404 High Similarity NPC147224
0.9272 High Similarity NPC308178
0.9205 High Similarity NPC18789
0.9139 High Similarity NPC474234
0.913 High Similarity NPC208818
0.9026 High Similarity NPC188393
0.9026 High Similarity NPC470934
0.9013 High Similarity NPC37838
0.9007 High Similarity NPC478240
0.8957 High Similarity NPC21956
0.8951 High Similarity NPC130730
0.8951 High Similarity NPC301910
0.8947 High Similarity NPC83743
0.8947 High Similarity NPC262182
0.8947 High Similarity NPC216819
0.8947 High Similarity NPC287615
0.894 High Similarity NPC237872
0.894 High Similarity NPC88754
0.894 High Similarity NPC116104
0.894 High Similarity NPC302286
0.894 High Similarity NPC263397
0.891 High Similarity NPC478268
0.8896 High Similarity NPC215095
0.8896 High Similarity NPC28651
0.8896 High Similarity NPC199311
0.8896 High Similarity NPC210611
0.8896 High Similarity NPC300262
0.8896 High Similarity NPC261122
0.8896 High Similarity NPC192763
0.8896 High Similarity NPC80732
0.8896 High Similarity NPC201148
0.8896 High Similarity NPC3460
0.8882 High Similarity NPC110063
0.8839 High Similarity NPC471062
0.8839 High Similarity NPC470933
0.8839 High Similarity NPC473427
0.8839 High Similarity NPC94871
0.8839 High Similarity NPC476386
0.8839 High Similarity NPC259347
0.8839 High Similarity NPC306890
0.8839 High Similarity NPC476398
0.8824 High Similarity NPC34587
0.8824 High Similarity NPC252292
0.8824 High Similarity NPC34927
0.8824 High Similarity NPC476382
0.8824 High Similarity NPC100998
0.8812 High Similarity NPC179914
0.8808 High Similarity NPC46644
0.8782 High Similarity NPC257970
0.8782 High Similarity NPC470927
0.878 High Similarity NPC286809
0.8766 High Similarity NPC476865
0.8765 High Similarity NPC476011
0.8765 High Similarity NPC206815
0.875 High Similarity NPC140502
0.8726 High Similarity NPC143480
0.8726 High Similarity NPC7145
0.8726 High Similarity NPC125823
0.8726 High Similarity NPC85192
0.8718 High Similarity NPC283839
0.8718 High Similarity NPC90896
0.8712 High Similarity NPC109990
0.871 High Similarity NPC232992
0.8701 High Similarity NPC476869
0.8701 High Similarity NPC476866
0.8701 High Similarity NPC476868
0.8701 High Similarity NPC476864
0.8693 High Similarity NPC478239
0.8688 High Similarity NPC11411
0.8675 High Similarity NPC49597
0.8671 High Similarity NPC472612
0.8671 High Similarity NPC203664
0.8671 High Similarity NPC289967
0.8671 High Similarity NPC472611
0.8662 High Similarity NPC476871
0.865 High Similarity NPC145847
0.8642 High Similarity NPC474936
0.8642 High Similarity NPC138993
0.8636 High Similarity NPC476867
0.8636 High Similarity NPC141455
0.8636 High Similarity NPC296954
0.8636 High Similarity NPC196063
0.8636 High Similarity NPC300894
0.8627 High Similarity NPC157816
0.8606 High Similarity NPC282551
0.8606 High Similarity NPC475621
0.8589 High Similarity NPC149873
0.8589 High Similarity NPC7191
0.858 High Similarity NPC478269
0.8571 High Similarity NPC278961
0.8571 High Similarity NPC113680
0.8571 High Similarity NPC105005
0.8562 High Similarity NPC476377
0.8562 High Similarity NPC186406
0.8562 High Similarity NPC476385
0.8562 High Similarity NPC134405
0.8562 High Similarity NPC47471
0.8553 High Similarity NPC226005
0.8544 High Similarity NPC69367
0.8543 High Similarity NPC157554
0.8526 High Similarity NPC229505
0.8526 High Similarity NPC199928
0.8519 High Similarity NPC187205
0.8516 High Similarity NPC232228
0.8516 High Similarity NPC184464
0.8516 High Similarity NPC251062
0.8509 High Similarity NPC475484
0.8497 Intermediate Similarity NPC473799
0.8497 Intermediate Similarity NPC475530
0.8481 Intermediate Similarity NPC106138
0.8481 Intermediate Similarity NPC478242
0.8477 Intermediate Similarity NPC476870
0.8476 Intermediate Similarity NPC478267
0.8452 Intermediate Similarity NPC476378
0.8452 Intermediate Similarity NPC247032
0.8452 Intermediate Similarity NPC175214
0.8452 Intermediate Similarity NPC205864
0.8452 Intermediate Similarity NPC476380
0.8452 Intermediate Similarity NPC119537
0.8452 Intermediate Similarity NPC476384
0.8452 Intermediate Similarity NPC264632
0.8452 Intermediate Similarity NPC476381
0.8452 Intermediate Similarity NPC269141
0.8452 Intermediate Similarity NPC76406
0.8452 Intermediate Similarity NPC298257
0.8452 Intermediate Similarity NPC476375
0.8452 Intermediate Similarity NPC96795
0.8452 Intermediate Similarity NPC40305
0.8452 Intermediate Similarity NPC476397
0.8452 Intermediate Similarity NPC112
0.8447 Intermediate Similarity NPC478232
0.8442 Intermediate Similarity NPC472711
0.8431 Intermediate Similarity NPC68092
0.8431 Intermediate Similarity NPC205195
0.8431 Intermediate Similarity NPC321184
0.8431 Intermediate Similarity NPC321638
0.8431 Intermediate Similarity NPC171134
0.8431 Intermediate Similarity NPC197316
0.8431 Intermediate Similarity NPC100389
0.8431 Intermediate Similarity NPC89105
0.8431 Intermediate Similarity NPC81515
0.8431 Intermediate Similarity NPC328273
0.8431 Intermediate Similarity NPC476383
0.8431 Intermediate Similarity NPC472350
0.8431 Intermediate Similarity NPC64141
0.8428 Intermediate Similarity NPC475224
0.8402 Intermediate Similarity NPC470685
0.8397 Intermediate Similarity NPC129417
0.8397 Intermediate Similarity NPC64195
0.8397 Intermediate Similarity NPC292443
0.8397 Intermediate Similarity NPC84181
0.8397 Intermediate Similarity NPC283995
0.8397 Intermediate Similarity NPC470235
0.8397 Intermediate Similarity NPC297342
0.8387 Intermediate Similarity NPC265648
0.8387 Intermediate Similarity NPC222433
0.8383 Intermediate Similarity NPC59516
0.8377 Intermediate Similarity NPC202700
0.8366 Intermediate Similarity NPC260425
0.8366 Intermediate Similarity NPC78363
0.8366 Intermediate Similarity NPC476376
0.8354 Intermediate Similarity NPC469384
0.8344 Intermediate Similarity NPC228357
0.8333 Intermediate Similarity NPC470950
0.8333 Intermediate Similarity NPC46092
0.8333 Intermediate Similarity NPC185307
0.8333 Intermediate Similarity NPC186296
0.8333 Intermediate Similarity NPC477898
0.8323 Intermediate Similarity NPC137501
0.8323 Intermediate Similarity NPC7518
0.8323 Intermediate Similarity NPC154262
0.8323 Intermediate Similarity NPC194705
0.8323 Intermediate Similarity NPC159387
0.8313 Intermediate Similarity NPC246024
0.8302 Intermediate Similarity NPC478237
0.8301 Intermediate Similarity NPC177035
0.8301 Intermediate Similarity NPC199459
0.8301 Intermediate Similarity NPC37468
0.8301 Intermediate Similarity NPC186418
0.8301 Intermediate Similarity NPC52277
0.8293 Intermediate Similarity NPC475663
0.8293 Intermediate Similarity NPC286919
0.8293 Intermediate Similarity NPC226759
0.8291 Intermediate Similarity NPC112861
0.8289 Intermediate Similarity NPC135127
0.8289 Intermediate Similarity NPC34293
0.8289 Intermediate Similarity NPC287597
0.8289 Intermediate Similarity NPC471883
0.8289 Intermediate Similarity NPC886
0.8282 Intermediate Similarity NPC131532
0.8282 Intermediate Similarity NPC38699
0.828 Intermediate Similarity NPC471063
0.8272 Intermediate Similarity NPC299706

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478265 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
0.9259 High Similarity NPD7685 Pre-registration
0.8431 Intermediate Similarity NPD7266 Discontinued
0.8025 Intermediate Similarity NPD1653 Approved
0.7853 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD7228 Approved
0.7614 Intermediate Similarity NPD7472 Approved
0.7557 Intermediate Similarity NPD7054 Approved
0.75 Intermediate Similarity NPD6234 Discontinued
0.7486 Intermediate Similarity NPD7808 Phase 3
0.743 Intermediate Similarity NPD7251 Discontinued
0.7416 Intermediate Similarity NPD7074 Phase 3
0.7414 Intermediate Similarity NPD7199 Phase 2
0.7414 Intermediate Similarity NPD8127 Discontinued
0.7412 Intermediate Similarity NPD37 Approved
0.7401 Intermediate Similarity NPD3818 Discontinued
0.7389 Intermediate Similarity NPD3027 Phase 3
0.7389 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD4966 Approved
0.7384 Intermediate Similarity NPD4965 Approved
0.7384 Intermediate Similarity NPD4967 Phase 2
0.7374 Intermediate Similarity NPD6797 Phase 2
0.7349 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6190 Approved
0.7333 Intermediate Similarity NPD7240 Approved
0.7317 Intermediate Similarity NPD6674 Discontinued
0.7267 Intermediate Similarity NPD8455 Phase 2
0.7267 Intermediate Similarity NPD6653 Approved
0.725 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD3620 Phase 2
0.7232 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7195 Intermediate Similarity NPD5762 Approved
0.7195 Intermediate Similarity NPD5763 Approved
0.7193 Intermediate Similarity NPD7028 Phase 2
0.7184 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD8313 Approved
0.7158 Intermediate Similarity NPD8312 Approved
0.7143 Intermediate Similarity NPD1613 Approved
0.7143 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD3705 Approved
0.7059 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD2861 Phase 2
0.7018 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD1357 Approved
0.6995 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6987 Remote Similarity NPD1091 Approved
0.6984 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6978 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6974 Remote Similarity NPD7680 Approved
0.6957 Remote Similarity NPD6559 Discontinued
0.6943 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4140 Approved
0.6914 Remote Similarity NPD1934 Approved
0.6909 Remote Similarity NPD7097 Phase 1
0.6906 Remote Similarity NPD6166 Phase 2
0.6906 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6906 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6894 Remote Similarity NPD1529 Clinical (unspecified phase)
0.689 Remote Similarity NPD5735 Approved
0.6885 Remote Similarity NPD5844 Phase 1
0.6864 Remote Similarity NPD4628 Phase 3
0.6864 Remote Similarity NPD8166 Discontinued
0.686 Remote Similarity NPD6273 Approved
0.686 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6836 Remote Similarity NPD3817 Phase 2
0.6832 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6831 Remote Similarity NPD3751 Discontinued
0.6829 Remote Similarity NPD4060 Phase 1
0.6828 Remote Similarity NPD7549 Discontinued
0.6813 Remote Similarity NPD3094 Phase 2
0.68 Remote Similarity NPD4380 Phase 2
0.6788 Remote Similarity NPD6355 Discontinued
0.6788 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6788 Remote Similarity NPD5124 Phase 1
0.6784 Remote Similarity NPD5058 Phase 3
0.678 Remote Similarity NPD2977 Approved
0.678 Remote Similarity NPD2393 Clinical (unspecified phase)
0.678 Remote Similarity NPD2801 Approved
0.678 Remote Similarity NPD1465 Phase 2
0.678 Remote Similarity NPD2978 Approved
0.6774 Remote Similarity NPD5536 Phase 2
0.6765 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4110 Phase 3
0.6755 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6748 Remote Similarity NPD7095 Approved
0.6732 Remote Similarity NPD5283 Phase 1
0.6716 Remote Similarity NPD7930 Approved
0.6711 Remote Similarity NPD228 Approved
0.6708 Remote Similarity NPD6362 Approved
0.6706 Remote Similarity NPD1652 Phase 2
0.6705 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6704 Remote Similarity NPD3882 Suspended
0.6703 Remote Similarity NPD3787 Discontinued
0.6687 Remote Similarity NPD230 Phase 1
0.6687 Remote Similarity NPD4908 Phase 1
0.6687 Remote Similarity NPD4340 Discontinued
0.6686 Remote Similarity NPD6002 Phase 3
0.6686 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6686 Remote Similarity NPD6005 Phase 3
0.6686 Remote Similarity NPD6004 Phase 3
0.6685 Remote Similarity NPD7473 Discontinued
0.6667 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7075 Discontinued
0.6667 Remote Similarity NPD7033 Discontinued
0.665 Remote Similarity NPD7999 Approved
0.6649 Remote Similarity NPD7799 Discontinued
0.6648 Remote Similarity NPD5402 Approved
0.6648 Remote Similarity NPD7458 Discontinued
0.6629 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6626 Remote Similarity NPD5736 Approved
0.6612 Remote Similarity NPD6232 Discontinued
0.6606 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6597 Remote Similarity NPD8434 Phase 2
0.6593 Remote Similarity NPD5494 Approved
0.6592 Remote Similarity NPD7819 Suspended
0.6587 Remote Similarity NPD1933 Approved
0.6584 Remote Similarity NPD2982 Phase 2
0.6584 Remote Similarity NPD2983 Phase 2
0.657 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6233 Phase 2
0.6564 Remote Similarity NPD5647 Approved
0.6562 Remote Similarity NPD6842 Approved
0.6562 Remote Similarity NPD6843 Phase 3
0.6562 Remote Similarity NPD6841 Approved
0.6562 Remote Similarity NPD3092 Approved
0.6556 Remote Similarity NPD1358 Approved
0.6552 Remote Similarity NPD4357 Discontinued
0.6552 Remote Similarity NPD1511 Approved
0.6552 Remote Similarity NPD8151 Discontinued
0.655 Remote Similarity NPD7435 Discontinued
0.6548 Remote Similarity NPD6353 Approved
0.6534 Remote Similarity NPD5403 Approved
0.6524 Remote Similarity NPD9494 Approved
0.6524 Remote Similarity NPD3018 Phase 2
0.6522 Remote Similarity NPD2981 Phase 2
0.6512 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6509 Remote Similarity NPD4978 Clinical (unspecified phase)
0.65 Remote Similarity NPD5563 Clinical (unspecified phase)
0.65 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6497 Remote Similarity NPD3687 Approved
0.6497 Remote Similarity NPD3686 Approved
0.6491 Remote Similarity NPD1375 Discontinued
0.649 Remote Similarity NPD3134 Approved
0.6488 Remote Similarity NPD3657 Discovery
0.6481 Remote Similarity NPD5327 Phase 3
0.648 Remote Similarity NPD6386 Approved
0.648 Remote Similarity NPD6385 Approved
0.6478 Remote Similarity NPD5585 Approved
0.6477 Remote Similarity NPD1512 Approved
0.6474 Remote Similarity NPD6331 Phase 2
0.6474 Remote Similarity NPD3750 Approved
0.6471 Remote Similarity NPD4108 Discontinued
0.6471 Remote Similarity NPD3021 Approved
0.6471 Remote Similarity NPD3022 Approved
0.6468 Remote Similarity NPD7497 Discontinued
0.6467 Remote Similarity NPD6663 Approved
0.6464 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6464 Remote Similarity NPD5353 Approved
0.6463 Remote Similarity NPD4624 Approved
0.646 Remote Similarity NPD1610 Phase 2
0.646 Remote Similarity NPD422 Phase 1
0.6452 Remote Similarity NPD7843 Approved
0.6444 Remote Similarity NPD6801 Discontinued
0.6442 Remote Similarity NPD3225 Approved
0.644 Remote Similarity NPD7311 Approved
0.644 Remote Similarity NPD7312 Approved
0.644 Remote Similarity NPD7313 Approved
0.644 Remote Similarity NPD7310 Approved
0.6439 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6439 Remote Similarity NPD7874 Approved
0.6438 Remote Similarity NPD5126 Approved
0.6438 Remote Similarity NPD5125 Phase 3
0.6433 Remote Similarity NPD2935 Discontinued
0.6433 Remote Similarity NPD7157 Approved
0.6429 Remote Similarity NPD7768 Phase 2
0.6429 Remote Similarity NPD1558 Phase 1
0.6425 Remote Similarity NPD8150 Discontinued
0.6421 Remote Similarity NPD7039 Approved
0.6421 Remote Similarity NPD7038 Approved
0.642 Remote Similarity NPD5401 Approved
0.6418 Remote Similarity NPD6823 Phase 2
0.6416 Remote Similarity NPD3060 Approved
0.6416 Remote Similarity NPD4237 Approved
0.6416 Remote Similarity NPD4236 Phase 3
0.6412 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6412 Remote Similarity NPD4536 Approved
0.6412 Remote Similarity NPD4538 Approved
0.6408 Remote Similarity NPD7783 Phase 2
0.6408 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6407 Remote Similarity NPD6798 Discontinued
0.6407 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6407 Remote Similarity NPD3764 Approved
0.6407 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7309 Approved
0.6402 Remote Similarity NPD2797 Approved
0.64 Remote Similarity NPD6780 Approved
0.64 Remote Similarity NPD6777 Approved
0.64 Remote Similarity NPD6781 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  714.22
ALogP:  -3.9069
MLogP:  3.55
XLogP:  1.395
# Rotatable Bonds:  22
Polar Surface Area:  232.66
# H-Bond Aceptor:  12
# H-Bond Donor:  6
# Rings:  6
# Heavy Atoms:  51

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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