Natural Product: NPC477702

Natural Product ID:  NPC477702
Common Name:   n.a.
IUPAC Name:   [(2S,3R,4R,5R)-4-(acetyloxymethyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
Synonyms:  
Molecular Formula:   C26H30O11
Standard InCHIKey:  PHPSKSJVYFWRIV-AMIJONBRSA-N
Standard InCHI:  InChI=1S/C26H30O11/c1-13(27)33-10-17-18(11-34-14(2)28)25(16-8-21(32-5)26-22(9-16)35-12-36-26)37-24(17)15-6-19(30-3)23(29)20(7-15)31-4/h6-9,17-18,24-25,29H,10-12H2,1-5H3/t17-,18-,24-,25+/m0/s1
Canonical SMILES:  COc1cc(cc(c1O)OC)[C@@H]1O[C@@H]([C@H]([C@@H]1COC(=O)C)COC(=O)C)c1cc(OC)c2c(c1)OCO2
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
NPO27718 Peperomia dindygulensis Species Piperaceae Eukaryota whole plant Yunnan Province, China 2002-FEB PMID[16309318]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 88 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 95 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 101 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 100 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 99 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 78 % 16309318
NPT1475 Cell Line WI-38 VA13 Homo sapiens IC50 = 47.4 ug/ml 16309318
NPT81 Cell Line A549 Homo sapiens IC50 = 84400 nM 16309318
NPT81 Cell Line A549 Homo sapiens IC50 = 38600 nM 16309318

  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 NPC477702 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
0.9928 High Similarity NPC212890
0.9638 High Similarity NPC287124
0.9635 High Similarity NPC177868
0.9568 High Similarity NPC12728
0.9568 High Similarity NPC185071
0.95 High Similarity NPC166884
0.95 High Similarity NPC477701
0.95 High Similarity NPC141569
0.9441 High Similarity NPC174512
0.9441 High Similarity NPC477695
0.9441 High Similarity NPC293757
0.9441 High Similarity NPC474965
0.9441 High Similarity NPC668
0.9429 High Similarity NPC255566
0.9429 High Similarity NPC298317
0.9416 High Similarity NPC11453
0.9384 High Similarity NPC136757
0.9379 High Similarity NPC477699
0.9348 High Similarity NPC474039
0.9343 High Similarity NPC141765
0.9343 High Similarity NPC24490
0.9343 High Similarity NPC165155
0.9343 High Similarity NPC34103
0.931 High Similarity NPC477700
0.931 High Similarity NPC475756
0.9306 High Similarity NPC145569
0.9306 High Similarity NPC216223
0.9247 High Similarity NPC471154
0.9241 High Similarity NPC473989
0.9241 High Similarity NPC24425
0.9236 High Similarity NPC248132
0.9236 High Similarity NPC130449
0.9225 High Similarity NPC473046
0.9225 High Similarity NPC472712
0.9225 High Similarity NPC118385
0.9225 High Similarity NPC472713
0.9225 High Similarity NPC187774
0.9214 High Similarity NPC46591
0.9209 High Similarity NPC283949
0.9203 High Similarity NPC142547
0.9203 High Similarity NPC135777
0.9203 High Similarity NPC99572
0.9203 High Similarity NPC126409
0.9203 High Similarity NPC150534
0.9184 High Similarity NPC474606
0.9178 High Similarity NPC32079
0.9172 High Similarity NPC125570
0.9172 High Similarity NPC286235
0.9172 High Similarity NPC51328
0.9172 High Similarity NPC55158
0.9143 High Similarity NPC123526
0.9143 High Similarity NPC193666
0.9143 High Similarity NPC88640
0.9137 High Similarity NPC143895
0.9137 High Similarity NPC471988
0.913 High Similarity NPC244983
0.913 High Similarity NPC326095
0.913 High Similarity NPC67247
0.9124 High Similarity NPC175067
0.9124 High Similarity NPC204215
0.9124 High Similarity NPC261812
0.9124 High Similarity NPC72046
0.9124 High Similarity NPC65183
0.9116 High Similarity NPC56184
0.9103 High Similarity NPC316676
0.9103 High Similarity NPC325720
0.9097 High Similarity NPC154971
0.9097 High Similarity NPC252286
0.9085 High Similarity NPC5262
0.9085 High Similarity NPC472714
0.9078 High Similarity NPC56091
0.9078 High Similarity NPC226547
0.9073 High Similarity NPC268718
0.9073 High Similarity NPC91634
0.9073 High Similarity NPC150943
0.9071 High Similarity NPC185908
0.9065 High Similarity NPC25333
0.9065 High Similarity NPC148893
0.9065 High Similarity NPC49235
0.906 High Similarity NPC238834
0.906 High Similarity NPC476065
0.9058 High Similarity NPC266848
0.9058 High Similarity NPC136750
0.9058 High Similarity NPC158331
0.9041 High Similarity NPC477698
0.9034 High Similarity NPC39657
0.9028 High Similarity NPC180953
0.9021 High Similarity NPC477696
0.9021 High Similarity NPC477898
0.9021 High Similarity NPC477697
0.9021 High Similarity NPC474808
0.9021 High Similarity NPC470811
0.9007 High Similarity NPC6369
0.9007 High Similarity NPC9068
0.9007 High Similarity NPC30951
0.9 High Similarity NPC121651
0.8993 High Similarity NPC30009
0.8993 High Similarity NPC312763
0.8993 High Similarity NPC103197
0.8993 High Similarity NPC198461
0.8993 High Similarity NPC31530
0.8993 High Similarity NPC287745
0.8986 High Similarity NPC471505
0.8973 High Similarity NPC166584
0.8973 High Similarity NPC252402
0.8973 High Similarity NPC301961
0.8973 High Similarity NPC102934
0.8966 High Similarity NPC226540
0.8958 High Similarity NPC121661
0.8958 High Similarity NPC84181
0.8958 High Similarity NPC87883
0.8958 High Similarity NPC73467
0.8951 High Similarity NPC40237
0.8951 High Similarity NPC41782
0.8951 High Similarity NPC151423
0.8944 High Similarity NPC284464
0.894 High Similarity NPC475592
0.894 High Similarity NPC181168
0.894 High Similarity NPC163527
0.894 High Similarity NPC115281
0.8936 High Similarity NPC281780
0.8929 High Similarity NPC101624
0.8929 High Similarity NPC236522
0.8929 High Similarity NPC184938
0.8929 High Similarity NPC189474
0.8926 High Similarity NPC473236
0.8921 High Similarity NPC196937
0.8919 High Similarity NPC164082
0.8919 High Similarity NPC224472
0.8913 High Similarity NPC40432
0.8913 High Similarity NPC158079
0.8913 High Similarity NPC27843
0.8913 High Similarity NPC115207
0.8913 High Similarity NPC7171
0.8913 High Similarity NPC228346
0.8913 High Similarity NPC192255
0.8913 High Similarity NPC161557
0.8897 High Similarity NPC475868
0.8897 High Similarity NPC189239
0.8897 High Similarity NPC22150
0.8897 High Similarity NPC38041
0.8897 High Similarity NPC307466
0.8897 High Similarity NPC279298
0.8897 High Similarity NPC197352
0.8897 High Similarity NPC166506
0.8897 High Similarity NPC110763
0.8896 High Similarity NPC14294
0.8896 High Similarity NPC116759
0.8889 High Similarity NPC106920
0.8889 High Similarity NPC76415
0.8889 High Similarity NPC265154
0.8889 High Similarity NPC273657
0.8889 High Similarity NPC218510
0.8882 High Similarity NPC230531
0.8882 High Similarity NPC215400
0.8881 High Similarity NPC472711
0.8874 High Similarity NPC32373
0.8874 High Similarity NPC237946
0.8873 High Similarity NPC113550
0.8865 High Similarity NPC197166
0.8865 High Similarity NPC25695
0.8865 High Similarity NPC172818
0.8859 High Similarity NPC302610
0.8857 High Similarity NPC107478
0.8851 High Similarity NPC472710
0.8851 High Similarity NPC472709
0.8849 High Similarity NPC104077
0.8849 High Similarity NPC219671
0.8849 High Similarity NPC181049
0.8849 High Similarity NPC4940
0.8849 High Similarity NPC147616
0.8849 High Similarity NPC259742
0.8849 High Similarity NPC207400
0.8849 High Similarity NPC106739
0.8844 High Similarity NPC71726
0.8841 High Similarity NPC63574
0.8836 High Similarity NPC474054
0.8836 High Similarity NPC112861
0.8832 High Similarity NPC328682
0.8832 High Similarity NPC281864
0.8832 High Similarity NPC54321
0.8828 High Similarity NPC25292
0.8828 High Similarity NPC218841
0.8828 High Similarity NPC475000
0.8828 High Similarity NPC470097
0.8828 High Similarity NPC326144
0.8828 High Similarity NPC114119
0.8828 High Similarity NPC473045
0.8828 High Similarity NPC239254
0.8828 High Similarity NPC172171
0.8828 High Similarity NPC27159
0.8828 High Similarity NPC297342
0.8828 High Similarity NPC471415
0.8828 High Similarity NPC92693
0.8819 High Similarity NPC189115
0.8819 High Similarity NPC67467
0.8819 High Similarity NPC184684
0.8819 High Similarity NPC176586
0.8819 High Similarity NPC184641
0.8819 High Similarity NPC131971

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477702 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
0.9133 High Similarity NPD6234 Discontinued
0.8874 High Similarity NPD4967 Phase 2
0.8874 High Similarity NPD4965 Approved
0.8874 High Similarity NPD4966 Approved
0.8726 High Similarity NPD7228 Approved
0.8675 High Similarity NPD37 Approved
0.8633 High Similarity NPD3027 Phase 3
0.8291 Intermediate Similarity NPD7199 Phase 2
0.8187 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD7240 Approved
0.817 Intermediate Similarity NPD1653 Approved
0.8108 Intermediate Similarity NPD7266 Discontinued
0.8069 Intermediate Similarity NPD1613 Approved
0.8069 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8058 Intermediate Similarity NPD3705 Approved
0.8026 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD3818 Discontinued
0.7917 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7074 Phase 3
0.7665 Intermediate Similarity NPD7054 Approved
0.7625 Intermediate Similarity NPD1934 Approved
0.7619 Intermediate Similarity NPD7472 Approved
0.7611 Intermediate Similarity NPD7680 Approved
0.7589 Intermediate Similarity NPD1357 Approved
0.7588 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD4060 Phase 1
0.7569 Intermediate Similarity NPD2983 Phase 2
0.7569 Intermediate Similarity NPD2982 Phase 2
0.7551 Intermediate Similarity NPD4908 Phase 1
0.7536 Intermediate Similarity NPD5283 Phase 1
0.7532 Intermediate Similarity NPD6674 Discontinued
0.7529 Intermediate Similarity NPD7685 Pre-registration
0.75 Intermediate Similarity NPD2981 Phase 2
0.7485 Intermediate Similarity NPD3882 Suspended
0.7483 Intermediate Similarity NPD3018 Phase 2
0.7471 Intermediate Similarity NPD6797 Phase 2
0.7469 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3620 Phase 2
0.745 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD1610 Phase 2
0.7427 Intermediate Similarity NPD7251 Discontinued
0.7427 Intermediate Similarity NPD6559 Discontinued
0.7423 Intermediate Similarity NPD3817 Phase 2
0.7417 Intermediate Similarity NPD230 Phase 1
0.7391 Intermediate Similarity NPD228 Approved
0.7384 Intermediate Similarity NPD7808 Phase 3
0.7381 Intermediate Similarity NPD6166 Phase 2
0.7381 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7372 Intermediate Similarity NPD4110 Phase 3
0.7372 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD6232 Discontinued
0.7365 Intermediate Similarity NPD2861 Phase 2
0.7362 Intermediate Similarity NPD2978 Approved
0.7362 Intermediate Similarity NPD2801 Approved
0.7362 Intermediate Similarity NPD1465 Phase 2
0.7362 Intermediate Similarity NPD2977 Approved
0.7337 Intermediate Similarity NPD7473 Discontinued
0.7333 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD6190 Approved
0.731 Intermediate Similarity NPD1091 Approved
0.7303 Intermediate Similarity NPD6355 Discontinued
0.7267 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD5844 Phase 1
0.7246 Intermediate Similarity NPD3022 Approved
0.7246 Intermediate Similarity NPD3021 Approved
0.7222 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD4749 Approved
0.7192 Intermediate Similarity NPD422 Phase 1
0.7179 Intermediate Similarity NPD5762 Approved
0.7179 Intermediate Similarity NPD5763 Approved
0.717 Intermediate Similarity NPD5058 Phase 3
0.7153 Intermediate Similarity NPD1548 Phase 1
0.7152 Intermediate Similarity NPD4628 Phase 3
0.7152 Intermediate Similarity NPD7095 Approved
0.7152 Intermediate Similarity NPD8455 Phase 2
0.7143 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6653 Approved
0.7143 Intermediate Similarity NPD5494 Approved
0.7134 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD7075 Discontinued
0.7125 Intermediate Similarity NPD1511 Approved
0.7125 Intermediate Similarity NPD4357 Discontinued
0.7105 Intermediate Similarity NPD7827 Phase 1
0.7105 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD7097 Phase 1
0.7089 Intermediate Similarity NPD1652 Phase 2
0.7086 Intermediate Similarity NPD7549 Discontinued
0.7081 Intermediate Similarity NPD2532 Approved
0.7081 Intermediate Similarity NPD2534 Approved
0.7081 Intermediate Similarity NPD2533 Approved
0.7078 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD5124 Phase 1
0.7073 Intermediate Similarity NPD7028 Phase 2
0.7073 Intermediate Similarity NPD4380 Phase 2
0.707 Intermediate Similarity NPD1375 Discontinued
0.7067 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6233 Phase 2
0.7056 Intermediate Similarity NPD7296 Approved
0.7052 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD4625 Phase 3
0.7039 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD1512 Approved
0.7027 Intermediate Similarity NPD1608 Approved
0.7013 Intermediate Similarity NPD1558 Phase 1
0.7013 Intermediate Similarity NPD4140 Approved
0.7012 Intermediate Similarity NPD4005 Discontinued
0.7006 Intermediate Similarity NPD2438 Suspended
0.7 Intermediate Similarity NPD8127 Discontinued
0.7 Intermediate Similarity NPD2219 Phase 1
0.6993 Remote Similarity NPD6798 Discontinued
0.6987 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6983 Remote Similarity NPD6842 Approved
0.6983 Remote Similarity NPD6841 Approved
0.6983 Remote Similarity NPD6843 Phase 3
0.6981 Remote Similarity NPD4236 Phase 3
0.6981 Remote Similarity NPD4237 Approved
0.6975 Remote Similarity NPD7004 Clinical (unspecified phase)
0.697 Remote Similarity NPD4678 Approved
0.697 Remote Similarity NPD4675 Approved
0.6966 Remote Similarity NPD5536 Phase 2
0.6962 Remote Similarity NPD3540 Phase 1
0.6962 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6005 Phase 3
0.6962 Remote Similarity NPD6002 Phase 3
0.6962 Remote Similarity NPD6004 Phase 3
0.6962 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7229 Phase 3
0.6957 Remote Similarity NPD7124 Phase 2
0.6951 Remote Similarity NPD3687 Approved
0.6951 Remote Similarity NPD3686 Approved
0.6946 Remote Similarity NPD7819 Suspended
0.6946 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6944 Remote Similarity NPD7157 Approved
0.6939 Remote Similarity NPD5125 Phase 3
0.6939 Remote Similarity NPD5126 Approved
0.6937 Remote Similarity NPD3750 Approved
0.6933 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6928 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5242 Approved
0.6914 Remote Similarity NPD6799 Approved
0.6905 Remote Similarity NPD5402 Approved
0.6905 Remote Similarity NPD5353 Approved
0.6899 Remote Similarity NPD6099 Approved
0.6899 Remote Similarity NPD2935 Discontinued
0.6899 Remote Similarity NPD3539 Phase 1
0.6899 Remote Similarity NPD6100 Approved
0.6894 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6886 Remote Similarity NPD3382 Approved
0.6886 Remote Similarity NPD3384 Approved
0.6886 Remote Similarity NPD3383 Approved
0.6886 Remote Similarity NPD6801 Discontinued
0.6879 Remote Similarity NPD6111 Discontinued
0.6875 Remote Similarity NPD3060 Approved
0.6875 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6871 Remote Similarity NPD5585 Approved
0.6867 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6867 Remote Similarity NPD6599 Discontinued
0.686 Remote Similarity NPD3787 Discontinued
0.6859 Remote Similarity NPD5735 Approved
0.6859 Remote Similarity NPD4340 Discontinued
0.6855 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6853 Remote Similarity NPD7843 Approved
0.6853 Remote Similarity NPD5535 Approved
0.6848 Remote Similarity NPD4210 Discontinued
0.6839 Remote Similarity NPD4062 Phase 3
0.6835 Remote Similarity NPD7033 Discontinued
0.6835 Remote Similarity NPD5588 Approved
0.6835 Remote Similarity NPD4108 Discontinued
0.6832 Remote Similarity NPD6331 Phase 2
0.6832 Remote Similarity NPD8166 Discontinued
0.6832 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4626 Approved
0.6824 Remote Similarity NPD17 Approved
0.6821 Remote Similarity NPD1283 Approved
0.6813 Remote Similarity NPD5958 Discontinued
0.6809 Remote Similarity NPD5006 Approved
0.6809 Remote Similarity NPD5005 Approved
0.6809 Remote Similarity NPD2684 Approved
0.6805 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6796 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6795 Remote Similarity NPD2238 Phase 2
0.6795 Remote Similarity NPD2979 Phase 3
0.6792 Remote Similarity NPD2161 Phase 2
0.6792 Remote Similarity NPD6032 Approved
0.6788 Remote Similarity NPD5403 Approved

Structure

External Identifiers

PubChem CID   44566537
ChEMBL   CHEMBL465958
ZINC  

Physicochemical Properties

Molecular Weight:  518.18
ALogP:  -1.9247
MLogP:  3.11
XLogP:  1.704
# Rotatable Bonds:  17
Polar Surface Area:  128.21
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  37

Download Data

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