Natural Product: NPC477701

Natural Product ID:  NPC477701
Common Name:   [(2R,3R,4R,5S)-4-(hydroxymethyl)-2,5-bis(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
IUPAC Name:   [(2R,3R,4R,5S)-4-(hydroxymethyl)-2,5-bis(7-methoxy-1,3-benzodioxol-5-yl)oxolan-3-yl]methyl acetate
Synonyms:  
Molecular Formula:   C24H26O10
Standard InCHIKey:  YPQDTAINIDFHAR-FRMGNDQPSA-N
Standard InCHI:  InChI=1S/C24H26O10/c1-12(26)29-9-16-15(8-25)21(13-4-17(27-2)23-19(6-13)30-10-32-23)34-22(16)14-5-18(28-3)24-20(7-14)31-11-33-24/h4-7,15-16,21-22,25H,8-11H2,1-3H3/t15-,16-,21+,22-/m0/s1
Canonical SMILES:  OC[C@H]1[C@H](COC(=O)C)[C@@H](O[C@@H]1c1cc(OC)c2c(c1)OCO2)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 = 76 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 85 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 94 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 86 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 89 % 16309318
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens Inhibition = 72 % 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 NPC477701 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 NPC166884
1.0 High Similarity NPC141569
0.9853 High Similarity NPC287124
0.9706 High Similarity NPC46591
0.9571 High Similarity NPC212890
0.9562 High Similarity NPC56091
0.95 High Similarity NPC477702
0.9485 High Similarity NPC11453
0.9416 High Similarity NPC283949
0.9412 High Similarity NPC25333
0.9412 High Similarity NPC49235
0.9412 High Similarity NPC148893
0.9412 High Similarity NPC150534
0.9375 High Similarity NPC164082
0.9357 High Similarity NPC12728
0.9357 High Similarity NPC185071
0.9338 High Similarity NPC31530
0.9306 High Similarity NPC473989
0.9281 High Similarity NPC226547
0.9275 High Similarity NPC185908
0.927 High Similarity NPC189474
0.9236 High Similarity NPC477698
0.922 High Similarity NPC255566
0.922 High Similarity NPC298317
0.9209 High Similarity NPC113550
0.9203 High Similarity NPC143895
0.9197 High Similarity NPC47181
0.9191 High Similarity NPC72046
0.9191 High Similarity NPC261812
0.9191 High Similarity NPC65183
0.9178 High Similarity NPC56184
0.9167 High Similarity NPC316676
0.9167 High Similarity NPC325720
0.9155 High Similarity NPC92693
0.9155 High Similarity NPC218841
0.9143 High Similarity NPC177868
0.913 High Similarity NPC18576
0.913 High Similarity NPC236522
0.9124 High Similarity NPC196937
0.9124 High Similarity NPC266848
0.9124 High Similarity NPC136750
0.9078 High Similarity NPC312199
0.9065 High Similarity NPC121651
0.9054 High Similarity NPC136757
0.9054 High Similarity NPC312763
0.9028 High Similarity NPC3982
0.9028 High Similarity NPC193779
0.9021 High Similarity NPC177644
0.9021 High Similarity NPC191158
0.9014 High Similarity NPC40237
0.9014 High Similarity NPC151423
0.9007 High Similarity NPC96593
0.9 High Similarity NPC469981
0.9 High Similarity NPC474039
0.8978 High Similarity NPC192255
0.8978 High Similarity NPC227160
0.8978 High Similarity NPC82111
0.8973 High Similarity NPC474965
0.8973 High Similarity NPC477695
0.8973 High Similarity NPC668
0.8973 High Similarity NPC293757
0.8973 High Similarity NPC174512
0.8958 High Similarity NPC475868
0.8951 High Similarity NPC218510
0.8951 High Similarity NPC474808
0.8951 High Similarity NPC76415
0.8947 High Similarity NPC288149
0.8944 High Similarity NPC471908
0.8936 High Similarity NPC88640
0.8936 High Similarity NPC123526
0.8936 High Similarity NPC193666
0.8933 High Similarity NPC32373
0.8933 High Similarity NPC237946
0.8926 High Similarity NPC198461
0.8919 High Similarity NPC302610
0.8919 High Similarity NPC477699
0.8913 High Similarity NPC147616
0.8913 High Similarity NPC259742
0.8913 High Similarity NPC219671
0.8913 High Similarity NPC104077
0.8905 High Similarity NPC271208
0.8905 High Similarity NPC233224
0.8904 High Similarity NPC248132
0.8904 High Similarity NPC130449
0.8897 High Similarity NPC54321
0.8897 High Similarity NPC328682
0.8897 High Similarity NPC281864
0.8889 High Similarity NPC239254
0.8889 High Similarity NPC118385
0.8889 High Similarity NPC472713
0.8889 High Similarity NPC475000
0.8889 High Similarity NPC326144
0.8889 High Similarity NPC473046
0.8889 High Similarity NPC472712
0.8889 High Similarity NPC172171
0.8889 High Similarity NPC187774
0.8881 High Similarity NPC210354
0.8881 High Similarity NPC176586
0.8881 High Similarity NPC474295
0.8874 High Similarity NPC207584
0.8874 High Similarity NPC19947
0.8865 High Similarity NPC101807
0.8859 High Similarity NPC24562
0.8857 High Similarity NPC24490
0.8857 High Similarity NPC141765
0.8857 High Similarity NPC165155
0.8857 High Similarity NPC34103
0.8851 High Similarity NPC477700
0.8851 High Similarity NPC224472
0.8851 High Similarity NPC475756
0.8849 High Similarity NPC1474
0.8844 High Similarity NPC55158
0.8844 High Similarity NPC145569
0.8844 High Similarity NPC85141
0.8844 High Similarity NPC216223
0.8844 High Similarity NPC55715
0.8844 High Similarity NPC240521
0.8844 High Similarity NPC95392
0.8844 High Similarity NPC35877
0.8844 High Similarity NPC51328
0.8844 High Similarity NPC286235
0.8832 High Similarity NPC476748
0.8828 High Similarity NPC327651
0.8828 High Similarity NPC318286
0.8828 High Similarity NPC180953
0.8824 High Similarity NPC8050
0.8824 High Similarity NPC473093
0.8824 High Similarity NPC473092
0.8819 High Similarity NPC324962
0.8819 High Similarity NPC474288
0.8803 High Similarity NPC9068
0.8803 High Similarity NPC156376
0.88 High Similarity NPC473425
0.8794 High Similarity NPC25695
0.8794 High Similarity NPC172818
0.8792 High Similarity NPC471154
0.8786 High Similarity NPC244983
0.8786 High Similarity NPC326095
0.8784 High Similarity NPC24425
0.8777 High Similarity NPC129687
0.8777 High Similarity NPC7744
0.8777 High Similarity NPC33611
0.8777 High Similarity NPC171928
0.8777 High Similarity NPC158526
0.8777 High Similarity NPC100223
0.8777 High Similarity NPC16830
0.8768 High Similarity NPC134764
0.8768 High Similarity NPC171550
0.8767 High Similarity NPC321696
0.8767 High Similarity NPC321958
0.8759 High Similarity NPC226862
0.8759 High Similarity NPC82862
0.8759 High Similarity NPC179521
0.8759 High Similarity NPC158471
0.8759 High Similarity NPC165128
0.8759 High Similarity NPC222127
0.8759 High Similarity NPC57119
0.8758 High Similarity NPC150943
0.8758 High Similarity NPC119910
0.8758 High Similarity NPC268718
0.8758 High Similarity NPC91634
0.875 High Similarity NPC472714
0.875 High Similarity NPC311057
0.875 High Similarity NPC229172
0.875 High Similarity NPC230538
0.875 High Similarity NPC246947
0.875 High Similarity NPC36531
0.875 High Similarity NPC103637
0.875 High Similarity NPC5262
0.8742 High Similarity NPC186316
0.8741 High Similarity NPC103448
0.8741 High Similarity NPC216434
0.8733 High Similarity NPC308739
0.8733 High Similarity NPC53669
0.8733 High Similarity NPC126405
0.8733 High Similarity NPC297271
0.8733 High Similarity NPC77237
0.8733 High Similarity NPC217708
0.8733 High Similarity NPC474606
0.8733 High Similarity NPC16791
0.8733 High Similarity NPC245948
0.8725 High Similarity NPC210642
0.8725 High Similarity NPC32079
0.8725 High Similarity NPC13985
0.8725 High Similarity NPC303519
0.8723 High Similarity NPC135777
0.8723 High Similarity NPC99572
0.8723 High Similarity NPC474139
0.8723 High Similarity NPC174191
0.8723 High Similarity NPC142547
0.8723 High Similarity NPC126409
0.8716 High Similarity NPC262455
0.8716 High Similarity NPC177476
0.8716 High Similarity NPC125570
0.8714 High Similarity NPC58585
0.8707 High Similarity NPC39657
0.8701 High Similarity NPC152424
0.8701 High Similarity NPC100465
0.8701 High Similarity NPC115624
0.8699 High Similarity NPC205316

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477701 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
0.8933 High Similarity NPD4965 Approved
0.8933 High Similarity NPD4967 Phase 2
0.8933 High Similarity NPD4966 Approved
0.8733 High Similarity NPD37 Approved
0.8693 High Similarity NPD6234 Discontinued
0.8428 Intermediate Similarity NPD7228 Approved
0.8344 Intermediate Similarity NPD7199 Phase 2
0.8298 Intermediate Similarity NPD3027 Phase 3
0.8221 Intermediate Similarity NPD7240 Approved
0.8125 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8116 Intermediate Similarity NPD3705 Approved
0.7961 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD1653 Approved
0.78 Intermediate Similarity NPD7266 Discontinued
0.7755 Intermediate Similarity NPD1613 Approved
0.7755 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD3818 Discontinued
0.7647 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD1357 Approved
0.7622 Intermediate Similarity NPD2982 Phase 2
0.7622 Intermediate Similarity NPD2983 Phase 2
0.7591 Intermediate Similarity NPD5283 Phase 1
0.7582 Intermediate Similarity NPD6674 Discontinued
0.7556 Intermediate Similarity NPD7680 Approved
0.7552 Intermediate Similarity NPD2981 Phase 2
0.7534 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7534 Intermediate Similarity NPD3018 Phase 2
0.7528 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7456 Intermediate Similarity NPD7074 Phase 3
0.7423 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD4110 Phase 3
0.7399 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD7054 Approved
0.7383 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD4908 Phase 1
0.7362 Intermediate Similarity NPD3817 Phase 2
0.7362 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD7472 Approved
0.7326 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD5844 Phase 1
0.7285 Intermediate Similarity NPD4060 Phase 1
0.7267 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7685 Pre-registration
0.7267 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6559 Discontinued
0.7261 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD1610 Phase 2
0.7241 Intermediate Similarity NPD1091 Approved
0.7239 Intermediate Similarity NPD1934 Approved
0.7237 Intermediate Similarity NPD6355 Discontinued
0.7226 Intermediate Similarity NPD5763 Approved
0.7226 Intermediate Similarity NPD5762 Approved
0.7225 Intermediate Similarity NPD7808 Phase 3
0.7215 Intermediate Similarity NPD5058 Phase 3
0.7209 Intermediate Similarity NPD6797 Phase 2
0.7202 Intermediate Similarity NPD6232 Discontinued
0.7195 Intermediate Similarity NPD8455 Phase 2
0.7188 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD5494 Approved
0.7181 Intermediate Similarity NPD2861 Phase 2
0.7176 Intermediate Similarity NPD7473 Discontinued
0.7171 Intermediate Similarity NPD4140 Approved
0.7171 Intermediate Similarity NPD3620 Phase 2
0.7171 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD7251 Discontinued
0.716 Intermediate Similarity NPD4005 Discontinued
0.7143 Intermediate Similarity NPD8127 Discontinued
0.7143 Intermediate Similarity NPD7097 Phase 1
0.7134 Intermediate Similarity NPD4236 Phase 3
0.7134 Intermediate Similarity NPD1652 Phase 2
0.7134 Intermediate Similarity NPD4237 Approved
0.7124 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD5124 Phase 1
0.7118 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7118 Intermediate Similarity NPD6166 Phase 2
0.7118 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD7028 Phase 2
0.7115 Intermediate Similarity NPD1375 Discontinued
0.7114 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3882 Suspended
0.7095 Intermediate Similarity NPD7296 Approved
0.7091 Intermediate Similarity NPD2977 Approved
0.7091 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD2978 Approved
0.7089 Intermediate Similarity NPD4628 Phase 3
0.7086 Intermediate Similarity NPD7095 Approved
0.7078 Intermediate Similarity NPD6653 Approved
0.7075 Intermediate Similarity NPD1608 Approved
0.7063 Intermediate Similarity NPD4357 Discontinued
0.7051 Intermediate Similarity NPD2438 Suspended
0.7044 Intermediate Similarity NPD6190 Approved
0.7039 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7549 Discontinued
0.7027 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4749 Approved
0.7022 Intermediate Similarity NPD6843 Phase 3
0.7022 Intermediate Similarity NPD6841 Approved
0.7022 Intermediate Similarity NPD6842 Approved
0.7019 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD5536 Phase 2
0.7013 Intermediate Similarity NPD230 Phase 1
0.7011 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD422 Phase 1
0.7006 Intermediate Similarity NPD3540 Phase 1
0.7006 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6005 Phase 3
0.7006 Intermediate Similarity NPD6004 Phase 3
0.7006 Intermediate Similarity NPD6002 Phase 3
0.7 Intermediate Similarity NPD7229 Phase 3
0.7 Intermediate Similarity NPD7124 Phase 2
0.6994 Remote Similarity NPD3686 Approved
0.6994 Remote Similarity NPD3687 Approved
0.6993 Remote Similarity NPD6233 Phase 2
0.6993 Remote Similarity NPD7157 Approved
0.6988 Remote Similarity NPD7819 Suspended
0.6988 Remote Similarity NPD2801 Approved
0.6988 Remote Similarity NPD1465 Phase 2
0.6986 Remote Similarity NPD5126 Approved
0.6986 Remote Similarity NPD5125 Phase 3
0.6975 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6966 Remote Similarity NPD1548 Phase 1
0.6962 Remote Similarity NPD970 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5242 Approved
0.695 Remote Similarity NPD228 Approved
0.6946 Remote Similarity NPD5353 Approved
0.6943 Remote Similarity NPD3539 Phase 1
0.6937 Remote Similarity NPD2219 Phase 1
0.6937 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6928 Remote Similarity NPD3384 Approved
0.6928 Remote Similarity NPD3382 Approved
0.6928 Remote Similarity NPD6798 Discontinued
0.6928 Remote Similarity NPD3383 Approved
0.6923 Remote Similarity NPD6111 Discontinued
0.6918 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6918 Remote Similarity NPD5585 Approved
0.6914 Remote Similarity NPD2533 Approved
0.6914 Remote Similarity NPD2532 Approved
0.6914 Remote Similarity NPD2534 Approved
0.6909 Remote Similarity NPD4678 Approved
0.6909 Remote Similarity NPD4380 Phase 2
0.6909 Remote Similarity NPD4675 Approved
0.6903 Remote Similarity NPD5735 Approved
0.6901 Remote Similarity NPD5535 Approved
0.6901 Remote Similarity NPD3787 Discontinued
0.6901 Remote Similarity NPD7843 Approved
0.6897 Remote Similarity NPD7804 Clinical (unspecified phase)
0.689 Remote Similarity NPD4210 Discontinued
0.6886 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6879 Remote Similarity NPD4108 Discontinued
0.6879 Remote Similarity NPD7033 Discontinued
0.6879 Remote Similarity NPD5588 Approved
0.6875 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3892 Phase 2
0.6875 Remote Similarity NPD6331 Phase 2
0.6871 Remote Similarity NPD17 Approved
0.6867 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6867 Remote Similarity NPD1283 Approved
0.6864 Remote Similarity NPD7075 Discontinued
0.6863 Remote Similarity NPD4625 Phase 3
0.6857 Remote Similarity NPD2684 Approved
0.6852 Remote Similarity NPD6799 Approved
0.6845 Remote Similarity NPD5006 Approved
0.6845 Remote Similarity NPD5005 Approved
0.6845 Remote Similarity NPD5402 Approved
0.6839 Remote Similarity NPD2979 Phase 3
0.6839 Remote Similarity NPD2238 Phase 2
0.6835 Remote Similarity NPD2161 Phase 2
0.6835 Remote Similarity NPD6032 Approved
0.6826 Remote Similarity NPD6801 Discontinued
0.6824 Remote Similarity NPD919 Approved
0.6824 Remote Similarity NPD3847 Discontinued
0.6815 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4536 Approved
0.6815 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6815 Remote Similarity NPD4538 Approved
0.6813 Remote Similarity NPD3060 Approved
0.6813 Remote Similarity NPD5177 Phase 3
0.6809 Remote Similarity NPD3021 Approved
0.6809 Remote Similarity NPD3022 Approved
0.6807 Remote Similarity NPD6599 Discontinued
0.6803 Remote Similarity NPD5691 Approved
0.6795 Remote Similarity NPD3657 Discovery
0.679 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7827 Phase 1
0.6786 Remote Similarity NPD1358 Approved
0.6774 Remote Similarity NPD4062 Phase 3
0.677 Remote Similarity NPD1878 Clinical (unspecified phase)
0.677 Remote Similarity NPD3750 Approved
0.6763 Remote Similarity NPD3926 Phase 2
0.6757 Remote Similarity NPD4626 Approved
0.675 Remote Similarity NPD5958 Discontinued
0.6748 Remote Similarity NPD1511 Approved
0.674 Remote Similarity NPD7243 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11590987
ChEMBL   CHEMBL518694
ZINC  

Physicochemical Properties

Molecular Weight:  474.15
ALogP:  -2.0944
MLogP:  3
XLogP:  1.41
# Rotatable Bonds:  12
Polar Surface Area:  111.14
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  34

Download Data

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