Natural Product: NPC470719

Natural Product ID:  NPC470719
Common Name:   Allivictoside H
IUPAC Name:   [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Synonyms:   Allivictoside H
Molecular Formula:   C43H48O25
Standard InCHIKey:  DDFMQUADCQRUFS-LRKBPDFASA-N
Standard InCHI:  InChI=1S/C43H48O25/c1-60-22-8-15(2-5-18(22)47)3-7-27(50)67-40-35(57)31(53)26(14-46)66-43(40)68-39-32(54)28-20(49)10-17(61-41-36(58)33(55)29(51)24(12-44)64-41)11-23(28)62-38(39)16-4-6-21(19(48)9-16)63-42-37(59)34(56)30(52)25(13-45)65-42/h2-11,24-26,29-31,33-37,40-49,51-53,55-59H,12-14H2,1H3/b7-3+/t24-,25+,26-,29-,30+,31-,33+,34-,35+,36-,37+,40-,41-,42+,43+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)c2ccc(c(c2)O)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)/C=C/c1ccc(c(c1)OC)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
NPO3860.1 Allium victorialis Under-species NA NA Leaves Taeback, GangWon province, Korea 2011-JAN PMID[23149227]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT34 Cell Line BV-2 Mus musculus IC50 = 29950 nM 20627740
NPT34 Cell Line BV-2 Mus musculus Activity = 105.3 % PubChem BioAssay data set

  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 NPC470719 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
1.0 High Similarity NPC295625
1.0 High Similarity NPC473554
0.9941 High Similarity NPC275977
0.9941 High Similarity NPC470717
0.9941 High Similarity NPC249560
0.9941 High Similarity NPC223860
0.9941 High Similarity NPC21359
0.9941 High Similarity NPC460984
0.9941 High Similarity NPC470713
0.9941 High Similarity NPC25946
0.9941 High Similarity NPC470720
0.9882 High Similarity NPC241781
0.9882 High Similarity NPC33083
0.9882 High Similarity NPC470718
0.9882 High Similarity NPC162394
0.9882 High Similarity NPC156785
0.9825 High Similarity NPC97817
0.9825 High Similarity NPC30011
0.9825 High Similarity NPC72554
0.9766 High Similarity NPC474093
0.9766 High Similarity NPC104910
0.9709 High Similarity NPC475179
0.9704 High Similarity NPC477895
0.9704 High Similarity NPC139571
0.9704 High Similarity NPC173837
0.9704 High Similarity NPC251417
0.9704 High Similarity NPC89052
0.9704 High Similarity NPC217520
0.9647 High Similarity NPC192539
0.9645 High Similarity NPC14187
0.9645 High Similarity NPC471669
0.9645 High Similarity NPC473862
0.9645 High Similarity NPC292019
0.9645 High Similarity NPC202908
0.9645 High Similarity NPC48984
0.9645 High Similarity NPC89127
0.9645 High Similarity NPC122467
0.9645 High Similarity NPC219043
0.9593 High Similarity NPC470455
0.9593 High Similarity NPC470451
0.9593 High Similarity NPC470416
0.9588 High Similarity NPC120952
0.9588 High Similarity NPC113836
0.9588 High Similarity NPC253521
0.9588 High Similarity NPC217387
0.9588 High Similarity NPC293626
0.9588 High Similarity NPC196127
0.9588 High Similarity NPC37668
0.9588 High Similarity NPC258044
0.9588 High Similarity NPC267680
0.9588 High Similarity NPC35167
0.9586 High Similarity NPC476472
0.9586 High Similarity NPC34267
0.9586 High Similarity NPC220173
0.9586 High Similarity NPC214621
0.9586 High Similarity NPC294815
0.9586 High Similarity NPC19108
0.9586 High Similarity NPC223426
0.9586 High Similarity NPC81042
0.9586 High Similarity NPC473327
0.9586 High Similarity NPC16194
0.9535 High Similarity NPC35924
0.9535 High Similarity NPC470447
0.9535 High Similarity NPC97119
0.9535 High Similarity NPC470446
0.9535 High Similarity NPC135831
0.9535 High Similarity NPC297503
0.9535 High Similarity NPC470445
0.9535 High Similarity NPC199172
0.9535 High Similarity NPC36138
0.9535 High Similarity NPC470449
0.9532 High Similarity NPC471030
0.9529 High Similarity NPC61904
0.9529 High Similarity NPC144097
0.9527 High Similarity NPC472993
0.9471 High Similarity NPC253685
0.9471 High Similarity NPC198199
0.9467 High Similarity NPC153755
0.9467 High Similarity NPC134532
0.9467 High Similarity NPC33054
0.9467 High Similarity NPC471748
0.9467 High Similarity NPC176740
0.9467 High Similarity NPC470716
0.9467 High Similarity NPC474522
0.9467 High Similarity NPC470714
0.9467 High Similarity NPC471725
0.9467 High Similarity NPC155877
0.9467 High Similarity NPC203259
0.9467 High Similarity NPC26230
0.9467 High Similarity NPC470715
0.9467 High Similarity NPC180918
0.9467 High Similarity NPC60735
0.9419 High Similarity NPC470443
0.9419 High Similarity NPC110941
0.9419 High Similarity NPC241423
0.9419 High Similarity NPC473571
0.9419 High Similarity NPC473682
0.9419 High Similarity NPC470444
0.9419 High Similarity NPC126784
0.9415 High Similarity NPC231787
0.9412 High Similarity NPC4390
0.9412 High Similarity NPC175230
0.9412 High Similarity NPC88560
0.9412 High Similarity NPC172033
0.9408 High Similarity NPC285197
0.9408 High Similarity NPC156869
0.9408 High Similarity NPC164704
0.9408 High Similarity NPC67326
0.9408 High Similarity NPC255157
0.9408 High Similarity NPC206123
0.9408 High Similarity NPC470712
0.9408 High Similarity NPC244776
0.9408 High Similarity NPC67105
0.9408 High Similarity NPC254855
0.9408 High Similarity NPC136042
0.9408 High Similarity NPC29958
0.9408 High Similarity NPC116864
0.9408 High Similarity NPC95866
0.9408 High Similarity NPC259896
0.9371 High Similarity NPC64755
0.9364 High Similarity NPC469371
0.9353 High Similarity NPC67134
0.9353 High Similarity NPC190003
0.9353 High Similarity NPC175107
0.9353 High Similarity NPC47140
0.9349 High Similarity NPC120099
0.9349 High Similarity NPC223747
0.9349 High Similarity NPC86008
0.9349 High Similarity NPC219904
0.9349 High Similarity NPC203050
0.9349 High Similarity NPC225434
0.9349 High Similarity NPC209296
0.9349 High Similarity NPC195257
0.9349 High Similarity NPC227508
0.931 High Similarity NPC473072
0.9302 High Similarity NPC296018
0.9302 High Similarity NPC472992
0.9302 High Similarity NPC8573
0.9302 High Similarity NPC154741
0.9302 High Similarity NPC169733
0.9302 High Similarity NPC472385
0.9302 High Similarity NPC472991
0.9302 High Similarity NPC198324
0.9302 High Similarity NPC470949
0.9302 High Similarity NPC65563
0.9302 High Similarity NPC255799
0.9294 High Similarity NPC20505
0.9294 High Similarity NPC155763
0.9294 High Similarity NPC44328
0.9294 High Similarity NPC105095
0.9294 High Similarity NPC149011
0.9294 High Similarity NPC177731
0.9294 High Similarity NPC475434
0.9294 High Similarity NPC235260
0.9294 High Similarity NPC79056
0.9294 High Similarity NPC231194
0.9294 High Similarity NPC51326
0.9294 High Similarity NPC204937
0.929 High Similarity NPC226304
0.929 High Similarity NPC52550
0.929 High Similarity NPC317489
0.929 High Similarity NPC127546
0.929 High Similarity NPC325555
0.929 High Similarity NPC223424
0.929 High Similarity NPC84362
0.929 High Similarity NPC275454
0.929 High Similarity NPC265530
0.929 High Similarity NPC173637
0.9257 High Similarity NPC148710
0.9253 High Similarity NPC473071
0.9253 High Similarity NPC473073
0.9249 High Similarity NPC476618
0.9249 High Similarity NPC476773
0.9249 High Similarity NPC476620
0.9249 High Similarity NPC476623
0.9249 High Similarity NPC472387
0.9249 High Similarity NPC476621
0.9249 High Similarity NPC476622
0.9249 High Similarity NPC476619
0.9244 High Similarity NPC49344
0.9244 High Similarity NPC210094
0.9244 High Similarity NPC101191
0.9244 High Similarity NPC477848
0.9244 High Similarity NPC135277
0.9244 High Similarity NPC294629
0.9244 High Similarity NPC115760
0.9244 High Similarity NPC43211
0.9244 High Similarity NPC237435
0.9244 High Similarity NPC264735
0.924 High Similarity NPC11847
0.924 High Similarity NPC101399
0.924 High Similarity NPC221288
0.924 High Similarity NPC217822
0.9235 High Similarity NPC43587
0.9235 High Similarity NPC270578
0.9235 High Similarity NPC476180
0.9235 High Similarity NPC138927
0.9235 High Similarity NPC52382
0.9235 High Similarity NPC197708
0.9235 High Similarity NPC658

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470719 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
0.9586 High Similarity NPD7808 Phase 3
0.9527 High Similarity NPD7251 Discontinued
0.9467 High Similarity NPD6797 Phase 2
0.9408 High Similarity NPD7472 Approved
0.9349 High Similarity NPD7054 Approved
0.9294 High Similarity NPD7074 Phase 3
0.9244 High Similarity NPD4338 Clinical (unspecified phase)
0.9059 High Similarity NPD6166 Phase 2
0.9059 High Similarity NPD6167 Clinical (unspecified phase)
0.9059 High Similarity NPD6168 Clinical (unspecified phase)
0.9012 High Similarity NPD7804 Clinical (unspecified phase)
0.8844 High Similarity NPD3818 Discontinued
0.88 High Similarity NPD7993 Clinical (unspecified phase)
0.8706 High Similarity NPD4381 Clinical (unspecified phase)
0.8698 High Similarity NPD3817 Phase 2
0.8538 High Similarity NPD4868 Clinical (unspecified phase)
0.8488 Intermediate Similarity NPD7075 Discontinued
0.8471 Intermediate Similarity NPD1934 Approved
0.843 Intermediate Similarity NPD3882 Suspended
0.8324 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8314 Intermediate Similarity NPD2801 Approved
0.8314 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8266 Intermediate Similarity NPD5402 Approved
0.8256 Intermediate Similarity NPD6801 Discontinued
0.8242 Intermediate Similarity NPD8312 Approved
0.8242 Intermediate Similarity NPD8313 Approved
0.8232 Intermediate Similarity NPD6559 Discontinued
0.8225 Intermediate Similarity NPD1512 Approved
0.8176 Intermediate Similarity NPD5403 Approved
0.814 Intermediate Similarity NPD4380 Phase 2
0.8107 Intermediate Similarity NPD1511 Approved
0.8107 Intermediate Similarity NPD6799 Approved
0.8066 Intermediate Similarity NPD5844 Phase 1
0.8059 Intermediate Similarity NPD5401 Approved
0.8033 Intermediate Similarity NPD7685 Pre-registration
0.8023 Intermediate Similarity NPD1653 Approved
0.8021 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD7228 Approved
0.8 Intermediate Similarity NPD7819 Suspended
0.7989 Intermediate Similarity NPD7411 Suspended
0.797 Intermediate Similarity NPD8151 Discontinued
0.7965 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7957 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7956 Intermediate Similarity NPD7473 Discontinued
0.7955 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7944 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7912 Intermediate Similarity NPD3751 Discontinued
0.7901 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD1465 Phase 2
0.7898 Intermediate Similarity NPD8455 Phase 2
0.7889 Intermediate Similarity NPD6232 Discontinued
0.7877 Intermediate Similarity NPD5494 Approved
0.7849 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD7199 Phase 2
0.7833 Intermediate Similarity NPD6959 Discontinued
0.7829 Intermediate Similarity NPD6599 Discontinued
0.7806 Intermediate Similarity NPD7435 Discontinued
0.779 Intermediate Similarity NPD3787 Discontinued
0.7772 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD7266 Discontinued
0.7746 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD919 Approved
0.7711 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD7783 Phase 2
0.7709 Intermediate Similarity NPD7768 Phase 2
0.7706 Intermediate Similarity NPD1549 Phase 2
0.7677 Intermediate Similarity NPD8320 Phase 1
0.7677 Intermediate Similarity NPD8319 Approved
0.7674 Intermediate Similarity NPD6190 Approved
0.7662 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7662 Intermediate Similarity NPD7874 Approved
0.7647 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD7240 Approved
0.7626 Intermediate Similarity NPD7696 Phase 3
0.7626 Intermediate Similarity NPD7697 Approved
0.7626 Intermediate Similarity NPD7698 Approved
0.7624 Intermediate Similarity NPD6234 Discontinued
0.7588 Intermediate Similarity NPD2796 Approved
0.7588 Intermediate Similarity NPD7871 Phase 2
0.7588 Intermediate Similarity NPD7870 Phase 2
0.7586 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD6782 Approved
0.7563 Intermediate Similarity NPD6776 Approved
0.7563 Intermediate Similarity NPD6778 Approved
0.7563 Intermediate Similarity NPD6777 Approved
0.7563 Intermediate Similarity NPD6781 Approved
0.7563 Intermediate Similarity NPD6780 Approved
0.7563 Intermediate Similarity NPD6779 Approved
0.7562 Intermediate Similarity NPD7701 Phase 2
0.7542 Intermediate Similarity NPD37 Approved
0.7529 Intermediate Similarity NPD1510 Phase 2
0.7514 Intermediate Similarity NPD4967 Phase 2
0.7514 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD4966 Approved
0.7514 Intermediate Similarity NPD4965 Approved
0.7473 Intermediate Similarity NPD3749 Approved
0.7462 Intermediate Similarity NPD7700 Phase 2
0.7462 Intermediate Similarity NPD7699 Phase 2
0.7459 Intermediate Similarity NPD3926 Phase 2
0.7456 Intermediate Similarity NPD1933 Approved
0.7448 Intermediate Similarity NPD8150 Discontinued
0.7446 Intermediate Similarity NPD1247 Approved
0.7426 Intermediate Similarity NPD7584 Approved
0.7414 Intermediate Similarity NPD3750 Approved
0.7399 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD7801 Approved
0.7363 Intermediate Similarity NPD7680 Approved
0.7358 Intermediate Similarity NPD8434 Phase 2
0.7356 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD230 Phase 1
0.7326 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD4628 Phase 3
0.731 Intermediate Similarity NPD6534 Approved
0.731 Intermediate Similarity NPD6535 Approved
0.7294 Intermediate Similarity NPD1613 Approved
0.7294 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD1240 Approved
0.7283 Intermediate Similarity NPD1551 Phase 2
0.7278 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD7458 Discontinued
0.7251 Intermediate Similarity NPD447 Suspended
0.725 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD6823 Phase 2
0.722 Intermediate Similarity NPD7585 Approved
0.7209 Intermediate Similarity NPD1607 Approved
0.7193 Intermediate Similarity NPD943 Approved
0.7184 Intermediate Similarity NPD2935 Discontinued
0.7176 Intermediate Similarity NPD6798 Discontinued
0.7171 Intermediate Similarity NPD7583 Approved
0.7151 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6233 Phase 2
0.7126 Intermediate Similarity NPD3748 Approved
0.7118 Intermediate Similarity NPD3027 Phase 3
0.7088 Intermediate Similarity NPD3226 Approved
0.7074 Intermediate Similarity NPD8127 Discontinued
0.7072 Intermediate Similarity NPD920 Approved
0.7059 Intermediate Similarity NPD6832 Phase 2
0.7059 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD2532 Approved
0.7056 Intermediate Similarity NPD2534 Approved
0.7056 Intermediate Similarity NPD2533 Approved
0.7047 Intermediate Similarity NPD5953 Discontinued
0.7044 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD7286 Phase 2
0.7029 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.6995 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5353 Approved
0.6974 Remote Similarity NPD7549 Discontinued
0.6966 Remote Similarity NPD1243 Approved
0.6966 Remote Similarity NPD6674 Discontinued
0.6961 Remote Similarity NPD642 Clinical (unspecified phase)
0.6954 Remote Similarity NPD6355 Discontinued
0.6944 Remote Similarity NPD643 Clinical (unspecified phase)
0.6932 Remote Similarity NPD7033 Discontinued
0.6927 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7038 Approved
0.6923 Remote Similarity NPD7039 Approved
0.6915 Remote Similarity NPD6212 Phase 3
0.6915 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6915 Remote Similarity NPD6213 Phase 3
0.6906 Remote Similarity NPD7390 Discontinued
0.6882 Remote Similarity NPD6844 Discontinued
0.6882 Remote Similarity NPD1203 Approved
0.6879 Remote Similarity NPD2313 Discontinued
0.6872 Remote Similarity NPD1652 Phase 2
0.686 Remote Similarity NPD4908 Phase 1
0.6857 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6854 Remote Similarity NPD7930 Approved
0.6854 Remote Similarity NPD2346 Discontinued
0.6836 Remote Similarity NPD2799 Discontinued
0.6833 Remote Similarity NPD8166 Discontinued
0.6828 Remote Similarity NPD6386 Approved
0.6828 Remote Similarity NPD6385 Approved
0.6823 Remote Similarity NPD5242 Approved
0.6818 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6804 Remote Similarity NPD7799 Discontinued
0.6802 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6802 Remote Similarity NPD9494 Approved
0.6798 Remote Similarity NPD4363 Phase 3
0.6798 Remote Similarity NPD4360 Phase 2
0.6798 Remote Similarity NPD6100 Approved
0.6798 Remote Similarity NPD6099 Approved
0.6794 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6782 Remote Similarity NPD4907 Clinical (unspecified phase)
0.678 Remote Similarity NPD7097 Phase 1
0.6778 Remote Similarity NPD2800 Approved
0.6771 Remote Similarity NPD7229 Phase 3
0.6765 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6761 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6761 Remote Similarity NPD5124 Phase 1
0.676 Remote Similarity NPD2344 Approved
0.6748 Remote Similarity NPD8285 Discontinued
0.6746 Remote Similarity NPD1091 Approved
0.6744 Remote Similarity NPD2798 Approved
0.6743 Remote Similarity NPD7907 Approved

Structure

External Identifiers

PubChem CID   71459649
ChEMBL   CHEMBL2206204
ZINC  

Physicochemical Properties

Molecular Weight:  964.25
ALogP:  -8.1677
MLogP:  3.44
XLogP:  -1.377
# Rotatable Bonds:  30
Polar Surface Area:  400.43
# H-Bond Aceptor:  18
# H-Bond Donor:  14
# Rings:  7
# Heavy Atoms:  68

Download Data

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Biological Activities  
Similar NPs/Drugs