Natural Product: NPC476871

Natural Product ID:  NPC476871
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C43H42O21
Standard InCHIKey:  HTTUTLDWZXZWPJ-PQQZVXDQSA-N
Standard InCHI:  InChI=1S/C43H42O21/c44-25-8-2-20(13-27(25)46)1-7-23-16-24(17-35(51)60-23)61-42-40(56)38(54)36(52)31(63-42)18-58-34(50)12-6-22-4-10-30(29(48)15-22)62-43-41(57)39(55)37(53)32(64-43)19-59-33(49)11-5-21-3-9-26(45)28(47)14-21/h1-17,31-32,36-48,52-57H,18-19H2/b7-1+,11-5+,12-6+/t31-,32-,36-,37-,38+,39+,40-,41-,42-,43-/m1/s1
Canonical SMILES:  O=C(OC[C@H]1O[C@@H](Oc2cc(=O)oc(c2)/C=C/c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O)/C=C/c1ccc(c(c1)O)O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(c(c2)O)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
NPO33548 Clematis tashiroi Species Ranunculaceae Eukaryota aerial parts Heping District, Taichung City, Taiwan 2012-AUG PMID[26143931]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity Activity = 98.8 % 26143931
NPT1 Others Radical scavenging activity ED50 = 17 nM 26143931

  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 NPC476871 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
0.9648 High Similarity NPC476866
0.9648 High Similarity NPC476869
0.9648 High Similarity NPC476864
0.9648 High Similarity NPC476868
0.958 High Similarity NPC476865
0.9577 High Similarity NPC476867
0.9448 High Similarity NPC300262
0.9448 High Similarity NPC201148
0.9448 High Similarity NPC210611
0.9448 High Similarity NPC199311
0.9448 High Similarity NPC3460
0.9448 High Similarity NPC28651
0.9448 High Similarity NPC192763
0.9448 High Similarity NPC215095
0.9448 High Similarity NPC261122
0.9448 High Similarity NPC80732
0.9388 High Similarity NPC85192
0.9388 High Similarity NPC7145
0.9388 High Similarity NPC143480
0.9388 High Similarity NPC125823
0.9384 High Similarity NPC94871
0.9384 High Similarity NPC471062
0.9384 High Similarity NPC476398
0.9384 High Similarity NPC473427
0.9384 High Similarity NPC306890
0.9384 High Similarity NPC259347
0.9384 High Similarity NPC476386
0.9384 High Similarity NPC470933
0.932 High Similarity NPC257970
0.932 High Similarity NPC470927
0.9301 High Similarity NPC157816
0.9296 High Similarity NPC202700
0.9247 High Similarity NPC232992
0.9241 High Similarity NPC216819
0.9241 High Similarity NPC262182
0.9241 High Similarity NPC34587
0.9241 High Similarity NPC476382
0.9241 High Similarity NPC252292
0.9241 High Similarity NPC83743
0.9241 High Similarity NPC100998
0.9241 High Similarity NPC34927
0.9241 High Similarity NPC287615
0.9236 High Similarity NPC478239
0.9231 High Similarity NPC186406
0.9195 High Similarity NPC472612
0.9195 High Similarity NPC289967
0.9195 High Similarity NPC472611
0.9189 High Similarity NPC188393
0.9189 High Similarity NPC470934
0.9172 High Similarity NPC232228
0.9091 High Similarity NPC149873
0.9091 High Similarity NPC7191
0.9091 High Similarity NPC100389
0.9085 High Similarity NPC186418
0.9079 High Similarity NPC11411
0.9067 High Similarity NPC478268
0.9048 High Similarity NPC199928
0.9041 High Similarity NPC110063
0.9041 High Similarity NPC292443
0.9034 High Similarity NPC140502
0.9014 High Similarity NPC476870
0.8993 High Similarity NPC283839
0.8993 High Similarity NPC106138
0.8993 High Similarity NPC90896
0.898 High Similarity NPC473909
0.898 High Similarity NPC274960
0.898 High Similarity NPC143120
0.8973 High Similarity NPC476381
0.8973 High Similarity NPC476384
0.8973 High Similarity NPC476375
0.8973 High Similarity NPC112
0.8973 High Similarity NPC264632
0.8973 High Similarity NPC269141
0.8973 High Similarity NPC175214
0.8973 High Similarity NPC76406
0.8973 High Similarity NPC96795
0.8973 High Similarity NPC476378
0.8973 High Similarity NPC298257
0.8973 High Similarity NPC205864
0.8973 High Similarity NPC119537
0.8973 High Similarity NPC247032
0.8973 High Similarity NPC476380
0.8973 High Similarity NPC476397
0.8966 High Similarity NPC476385
0.8966 High Similarity NPC476377
0.8966 High Similarity NPC134405
0.8966 High Similarity NPC47471
0.8961 High Similarity NPC478269
0.8958 High Similarity NPC205195
0.8951 High Similarity NPC37468
0.8951 High Similarity NPC157554
0.8926 High Similarity NPC478237
0.8912 High Similarity NPC64195
0.891 High Similarity NPC246024
0.8904 High Similarity NPC222433
0.8904 High Similarity NPC265648
0.8904 High Similarity NPC473873
0.8904 High Similarity NPC473792
0.8897 High Similarity NPC475530
0.8897 High Similarity NPC106944
0.8897 High Similarity NPC473799
0.8889 High Similarity NPC260425
0.8889 High Similarity NPC78363
0.8868 High Similarity NPC197708
0.8868 High Similarity NPC658
0.8861 High Similarity NPC59516
0.8854 High Similarity NPC227297
0.8851 High Similarity NPC138915
0.8846 High Similarity NPC478267
0.8844 High Similarity NPC105005
0.8828 High Similarity NPC81515
0.8828 High Similarity NPC226005
0.8828 High Similarity NPC476383
0.8828 High Similarity NPC64141
0.8828 High Similarity NPC68092
0.8828 High Similarity NPC472350
0.8828 High Similarity NPC89105
0.8828 High Similarity NPC197316
0.8819 High Similarity NPC471665
0.8819 High Similarity NPC471664
0.8816 High Similarity NPC476352
0.8816 High Similarity NPC215060
0.8792 High Similarity NPC229505
0.8784 High Similarity NPC196063
0.8784 High Similarity NPC296954
0.8784 High Similarity NPC300894
0.8784 High Similarity NPC141455
0.8774 High Similarity NPC133984
0.8766 High Similarity NPC131532
0.8759 High Similarity NPC126206
0.8759 High Similarity NPC470413
0.8759 High Similarity NPC476376
0.8759 High Similarity NPC138738
0.8758 High Similarity NPC150442
0.8758 High Similarity NPC5786
0.8758 High Similarity NPC246893
0.8758 High Similarity NPC102851
0.8742 High Similarity NPC475250
0.8733 High Similarity NPC52740
0.8733 High Similarity NPC41844
0.8716 High Similarity NPC113680
0.8716 High Similarity NPC278961
0.871 High Similarity NPC478266
0.8693 High Similarity NPC53587
0.8693 High Similarity NPC176186
0.8693 High Similarity NPC169404
0.8688 High Similarity NPC128403
0.8681 High Similarity NPC287597
0.8681 High Similarity NPC34293
0.8681 High Similarity NPC886
0.8675 High Similarity NPC116229
0.8671 High Similarity NPC473285
0.8662 High Similarity NPC478265
0.8658 High Similarity NPC297342
0.8654 High Similarity NPC471878
0.8649 High Similarity NPC145319
0.863 High Similarity NPC65530
0.863 High Similarity NPC59324
0.8627 High Similarity NPC213197
0.8621 High Similarity NPC55040
0.8618 High Similarity NPC111785
0.8618 High Similarity NPC212670
0.8618 High Similarity NPC206264
0.8618 High Similarity NPC478242
0.8618 High Similarity NPC313334
0.8616 High Similarity NPC121290
0.8611 High Similarity NPC28637
0.8609 High Similarity NPC97240
0.8609 High Similarity NPC175275
0.8592 High Similarity NPC477294
0.8592 High Similarity NPC229784
0.8592 High Similarity NPC477293
0.8591 High Similarity NPC40305
0.8581 High Similarity NPC327032
0.8581 High Similarity NPC257095
0.8581 High Similarity NPC89686
0.8581 High Similarity NPC273932
0.8581 High Similarity NPC194095
0.8581 High Similarity NPC191046
0.8571 High Similarity NPC106818
0.8571 High Similarity NPC321638
0.8571 High Similarity NPC120774
0.8571 High Similarity NPC171134
0.8571 High Similarity NPC321184
0.8571 High Similarity NPC163598
0.8571 High Similarity NPC98777
0.8571 High Similarity NPC212770
0.8571 High Similarity NPC264875
0.8571 High Similarity NPC328273
0.8562 High Similarity NPC199459
0.8562 High Similarity NPC166180
0.8562 High Similarity NPC114740
0.8562 High Similarity NPC203230
0.8562 High Similarity NPC177035
0.8562 High Similarity NPC242028
0.8562 High Similarity NPC475224
0.8562 High Similarity NPC52277
0.8553 High Similarity NPC12326
0.8553 High Similarity NPC220282
0.8553 High Similarity NPC280945

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC476871 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
0.8828 High Similarity NPD7266 Discontinued
0.8618 High Similarity NPD1653 Approved
0.8242 Intermediate Similarity NPD7472 Approved
0.8182 Intermediate Similarity NPD7054 Approved
0.8113 Intermediate Similarity NPD8455 Phase 2
0.8095 Intermediate Similarity NPD7808 Phase 3
0.8036 Intermediate Similarity NPD7685 Pre-registration
0.8036 Intermediate Similarity NPD7251 Discontinued
0.8024 Intermediate Similarity NPD7074 Phase 3
0.7976 Intermediate Similarity NPD6797 Phase 2
0.7904 Intermediate Similarity NPD7228 Approved
0.7901 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD8313 Approved
0.7836 Intermediate Similarity NPD8312 Approved
0.7798 Intermediate Similarity NPD3818 Discontinued
0.7682 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7682 Intermediate Similarity NPD1613 Approved
0.7679 Intermediate Similarity NPD6166 Phase 2
0.7679 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7658 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD6190 Approved
0.7636 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD6674 Discontinued
0.76 Intermediate Similarity NPD3027 Phase 3
0.7551 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7544 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD1091 Approved
0.7514 Intermediate Similarity NPD7240 Approved
0.7485 Intermediate Similarity NPD6234 Discontinued
0.7417 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7199 Phase 2
0.7394 Intermediate Similarity NPD37 Approved
0.7365 Intermediate Similarity NPD4966 Approved
0.7365 Intermediate Similarity NPD4965 Approved
0.7365 Intermediate Similarity NPD4967 Phase 2
0.7351 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD5844 Phase 1
0.7314 Intermediate Similarity NPD6559 Discontinued
0.7308 Intermediate Similarity NPD7097 Phase 1
0.7301 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD8127 Discontinued
0.7289 Intermediate Similarity NPD1934 Approved
0.7246 Intermediate Similarity NPD1465 Phase 2
0.7219 Intermediate Similarity NPD7680 Approved
0.7211 Intermediate Similarity NPD1357 Approved
0.7209 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD3817 Phase 2
0.7179 Intermediate Similarity NPD4340 Discontinued
0.7175 Intermediate Similarity NPD7549 Discontinued
0.7161 Intermediate Similarity NPD6233 Phase 2
0.7143 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2801 Approved
0.7143 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4628 Phase 3
0.7101 Intermediate Similarity NPD5402 Approved
0.7097 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD3751 Discontinued
0.7081 Intermediate Similarity NPD1652 Phase 2
0.7078 Intermediate Similarity NPD4908 Phase 1
0.7075 Intermediate Similarity NPD5536 Phase 2
0.7067 Intermediate Similarity NPD3705 Approved
0.7066 Intermediate Similarity NPD4380 Phase 2
0.7037 Intermediate Similarity NPD8166 Discontinued
0.7032 Intermediate Similarity NPD7095 Approved
0.7018 Intermediate Similarity NPD7075 Discontinued
0.7013 Intermediate Similarity NPD2861 Phase 2
0.7012 Intermediate Similarity NPD1511 Approved
0.7006 Intermediate Similarity NPD4060 Phase 1
0.6988 Remote Similarity NPD5403 Approved
0.6987 Remote Similarity NPD6798 Discontinued
0.6987 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7945 Clinical (unspecified phase)
0.697 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6962 Remote Similarity NPD5124 Phase 1
0.6962 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1933 Approved
0.6959 Remote Similarity NPD3882 Suspended
0.6954 Remote Similarity NPD3787 Discontinued
0.6951 Remote Similarity NPD5058 Phase 3
0.6943 Remote Similarity NPD8151 Discontinued
0.6928 Remote Similarity NPD3225 Approved
0.6928 Remote Similarity NPD1512 Approved
0.6927 Remote Similarity NPD7039 Approved
0.6927 Remote Similarity NPD7038 Approved
0.6897 Remote Similarity NPD228 Approved
0.6872 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6872 Remote Similarity NPD7783 Phase 2
0.6871 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6867 Remote Similarity NPD5401 Approved
0.6863 Remote Similarity NPD2983 Phase 2
0.6863 Remote Similarity NPD2982 Phase 2
0.686 Remote Similarity NPD7768 Phase 2
0.6857 Remote Similarity NPD6232 Discontinued
0.6855 Remote Similarity NPD230 Phase 1
0.6853 Remote Similarity NPD1358 Approved
0.6849 Remote Similarity NPD7843 Approved
0.6845 Remote Similarity NPD3686 Approved
0.6845 Remote Similarity NPD3687 Approved
0.6842 Remote Similarity NPD2978 Approved
0.6842 Remote Similarity NPD7819 Suspended
0.6842 Remote Similarity NPD2977 Approved
0.6842 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6842 Remote Similarity NPD422 Phase 1
0.6836 Remote Similarity NPD7473 Discontinued
0.6829 Remote Similarity NPD3750 Approved
0.6824 Remote Similarity NPD7411 Suspended
0.6813 Remote Similarity NPD6653 Approved
0.6805 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6805 Remote Similarity NPD7458 Discontinued
0.6802 Remote Similarity NPD8443 Clinical (unspecified phase)
0.68 Remote Similarity NPD1548 Phase 1
0.6797 Remote Similarity NPD2981 Phase 2
0.6795 Remote Similarity NPD9494 Approved
0.6793 Remote Similarity NPD6842 Approved
0.6793 Remote Similarity NPD6843 Phase 3
0.6793 Remote Similarity NPD6841 Approved
0.6792 Remote Similarity NPD1558 Phase 1
0.6792 Remote Similarity NPD3620 Phase 2
0.6792 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6784 Remote Similarity NPD6801 Discontinued
0.678 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6776 Remote Similarity NPD3496 Discontinued
0.6772 Remote Similarity NPD6859 Clinical (unspecified phase)
0.677 Remote Similarity NPD4536 Approved
0.677 Remote Similarity NPD4538 Approved
0.677 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5698 Clinical (unspecified phase)
0.675 Remote Similarity NPD447 Suspended
0.675 Remote Similarity NPD6355 Discontinued
0.6748 Remote Similarity NPD5763 Approved
0.6748 Remote Similarity NPD5762 Approved
0.6743 Remote Similarity NPD5494 Approved
0.6735 Remote Similarity NPD5535 Approved
0.6732 Remote Similarity NPD1610 Phase 2
0.6728 Remote Similarity NPD7033 Discontinued
0.6728 Remote Similarity NPD5960 Phase 3
0.6728 Remote Similarity NPD5588 Approved
0.6727 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6727 Remote Similarity NPD4110 Phase 3
0.6726 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6721 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6711 Remote Similarity NPD7157 Approved
0.6711 Remote Similarity NPD5846 Approved
0.6711 Remote Similarity NPD6516 Phase 2
0.6707 Remote Similarity NPD4357 Discontinued
0.6705 Remote Similarity NPD6959 Discontinued
0.6689 Remote Similarity NPD5283 Phase 1
0.6688 Remote Similarity NPD3018 Phase 2
0.6687 Remote Similarity NPD4140 Approved
0.6684 Remote Similarity NPD7435 Discontinued
0.6667 Remote Similarity NPD3134 Approved
0.6667 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7447 Phase 1
0.6647 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6647 Remote Similarity NPD7440 Discontinued
0.6647 Remote Similarity NPD6818 Clinical (unspecified phase)
0.663 Remote Similarity NPD8054 Approved
0.663 Remote Similarity NPD8053 Approved
0.6629 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6628 Remote Similarity NPD6385 Approved
0.6628 Remote Similarity NPD6386 Approved
0.6627 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6627 Remote Similarity NPD6273 Approved
0.6625 Remote Similarity NPD4062 Phase 3
0.6624 Remote Similarity NPD6584 Phase 3
0.6608 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6607 Remote Similarity NPD7212 Phase 2
0.6607 Remote Similarity NPD7213 Phase 3
0.6607 Remote Similarity NPD6799 Approved
0.6606 Remote Similarity NPD1549 Phase 2
0.6605 Remote Similarity NPD2492 Phase 1
0.6603 Remote Similarity NPD8651 Approved
0.6598 Remote Similarity NPD7696 Phase 3
0.6598 Remote Similarity NPD7697 Approved
0.6598 Remote Similarity NPD7698 Approved
0.6588 Remote Similarity NPD2122 Discontinued
0.6585 Remote Similarity NPD1551 Phase 2
0.6585 Remote Similarity NPD2935 Discontinued
0.6575 Remote Similarity NPD2684 Approved
0.6568 Remote Similarity NPD4123 Phase 3
0.6568 Remote Similarity NPD3536 Discontinued
0.6568 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6568 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6566 Remote Similarity NPD7874 Approved
0.6566 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6566 Remote Similarity NPD3060 Approved
0.6564 Remote Similarity NPD7870 Phase 2
0.6564 Remote Similarity NPD7871 Phase 2
0.6562 Remote Similarity NPD3764 Approved
0.6561 Remote Similarity NPD2797 Approved
0.6559 Remote Similarity NPD8434 Phase 2
0.6552 Remote Similarity NPD968 Approved
0.6548 Remote Similarity NPD7585 Approved
0.6548 Remote Similarity NPD7701 Phase 2
0.6546 Remote Similarity NPD6823 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3590581
ZINC  

Physicochemical Properties

Molecular Weight:  894.22
ALogP:  -4.9433
MLogP:  3.88
XLogP:  2.015
# Rotatable Bonds:  27
Polar Surface Area:  338.35
# H-Bond Aceptor:  15
# H-Bond Donor:  11
# Rings:  6
# Heavy Atoms:  64

Download Data

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