Natural Product: NPC473682

Natural Product ID:  NPC473682
Common Name:   Eupalitin 3-O-Beta-D-Glucopyranosyl-(1->2)-Beta-D-Glucopyranoside
IUPAC Name:   3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
Synonyms:  
Molecular Formula:   C29H34O17
Standard InCHIKey:  RUQZEYSGSQAXQA-LZIGPTKVSA-N
Standard InCHI:  InChI=1S/C29H34O17/c1-40-13-7-12-16(19(35)25(13)41-2)20(36)26(24(42-12)10-3-5-11(32)6-4-10)45-29-27(22(38)18(34)15(9-31)44-29)46-28-23(39)21(37)17(33)14(8-30)43-28/h3-7,14-15,17-18,21-23,27-35,37-39H,8-9H2,1-2H3/t14-,15-,17+,18-,21+,22+,23-,27-,28+,29+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)c(c(c3)OC)OC)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[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
NPO32923 boerhaavia repens Species NA NA PMID[8946741]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6346 Tissue Bone Mus musculus Inhibition = 29.1 % 23398362
NPT6346 Tissue Bone Mus musculus Inhibition = 60.3 % 23398362
NPT6346 Tissue Bone Mus musculus Inhibition = 38 % 23398362

  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 NPC473682 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 NPC470443
1.0 High Similarity NPC241423
1.0 High Similarity NPC126784
1.0 High Similarity NPC110941
1.0 High Similarity NPC473571
1.0 High Similarity NPC470444
0.988 High Similarity NPC470447
0.988 High Similarity NPC470446
0.988 High Similarity NPC473072
0.988 High Similarity NPC470445
0.988 High Similarity NPC470449
0.9879 High Similarity NPC65563
0.9879 High Similarity NPC470949
0.9879 High Similarity NPC169733
0.9879 High Similarity NPC8573
0.9821 High Similarity NPC470455
0.9821 High Similarity NPC470451
0.9821 High Similarity NPC148710
0.982 High Similarity NPC473073
0.982 High Similarity NPC473071
0.9818 High Similarity NPC473327
0.9818 High Similarity NPC476472
0.9818 High Similarity NPC220173
0.9818 High Similarity NPC294815
0.9818 High Similarity NPC19108
0.9818 High Similarity NPC16194
0.9758 High Similarity NPC24043
0.9758 High Similarity NPC169977
0.9758 High Similarity NPC204693
0.9758 High Similarity NPC21666
0.9758 High Similarity NPC42773
0.9758 High Similarity NPC45522
0.9758 High Similarity NPC101026
0.9701 High Similarity NPC89052
0.9701 High Similarity NPC173837
0.9701 High Similarity NPC251417
0.9697 High Similarity NPC3583
0.9697 High Similarity NPC476405
0.9697 High Similarity NPC33054
0.9697 High Similarity NPC117260
0.9697 High Similarity NPC60735
0.9697 High Similarity NPC203259
0.9697 High Similarity NPC471748
0.9697 High Similarity NPC26230
0.9697 High Similarity NPC471725
0.9697 High Similarity NPC155877
0.9697 High Similarity NPC134532
0.9697 High Similarity NPC176740
0.9697 High Similarity NPC259152
0.9643 High Similarity NPC192539
0.9641 High Similarity NPC14187
0.9641 High Similarity NPC292019
0.9641 High Similarity NPC122467
0.9641 High Similarity NPC472385
0.9641 High Similarity NPC202908
0.9641 High Similarity NPC89127
0.9641 High Similarity NPC48984
0.9641 High Similarity NPC198324
0.9641 High Similarity NPC471669
0.9641 High Similarity NPC219043
0.9636 High Similarity NPC245014
0.9636 High Similarity NPC254855
0.9636 High Similarity NPC285197
0.9636 High Similarity NPC255157
0.9636 High Similarity NPC29958
0.9636 High Similarity NPC282987
0.9636 High Similarity NPC67105
0.9636 High Similarity NPC136042
0.9636 High Similarity NPC84265
0.9636 High Similarity NPC67326
0.9636 High Similarity NPC95866
0.9636 High Similarity NPC156869
0.9636 High Similarity NPC259896
0.9583 High Similarity NPC168584
0.9581 High Similarity NPC49344
0.9581 High Similarity NPC101191
0.9581 High Similarity NPC210094
0.9581 High Similarity NPC102028
0.9581 High Similarity NPC237435
0.9581 High Similarity NPC142996
0.9581 High Similarity NPC264735
0.9581 High Similarity NPC253685
0.9581 High Similarity NPC477848
0.9581 High Similarity NPC115760
0.9581 High Similarity NPC135277
0.9581 High Similarity NPC43211
0.9576 High Similarity NPC120099
0.9576 High Similarity NPC186807
0.9576 High Similarity NPC195257
0.9576 High Similarity NPC58053
0.9576 High Similarity NPC93337
0.9576 High Similarity NPC227508
0.9576 High Similarity NPC226294
0.9576 High Similarity NPC225434
0.9576 High Similarity NPC45638
0.9576 High Similarity NPC219904
0.9576 High Similarity NPC86008
0.9576 High Similarity NPC201292
0.9576 High Similarity NPC469931
0.9576 High Similarity NPC209296
0.9576 High Similarity NPC105025
0.9576 High Similarity NPC203050
0.9576 High Similarity NPC475942
0.9576 High Similarity NPC223747
0.9529 High Similarity NPC36138
0.9524 High Similarity NPC233994
0.9524 High Similarity NPC211532
0.9524 High Similarity NPC472380
0.9524 High Similarity NPC472384
0.9524 High Similarity NPC472382
0.9524 High Similarity NPC473862
0.9524 High Similarity NPC268533
0.9521 High Similarity NPC51774
0.9521 High Similarity NPC239549
0.9521 High Similarity NPC236191
0.9521 High Similarity NPC4390
0.9518 High Similarity NPC21190
0.9518 High Similarity NPC22195
0.9518 High Similarity NPC206123
0.9518 High Similarity NPC183357
0.9515 High Similarity NPC127546
0.9515 High Similarity NPC173637
0.9515 High Similarity NPC265530
0.9515 High Similarity NPC146792
0.9515 High Similarity NPC45618
0.9515 High Similarity NPC325555
0.9515 High Similarity NPC84362
0.9515 High Similarity NPC52550
0.9515 High Similarity NPC223424
0.9515 High Similarity NPC226304
0.9515 High Similarity NPC58716
0.9515 High Similarity NPC275454
0.9515 High Similarity NPC317489
0.9474 High Similarity NPC21359
0.9474 High Similarity NPC470713
0.9474 High Similarity NPC470717
0.9474 High Similarity NPC470416
0.9474 High Similarity NPC25946
0.9474 High Similarity NPC470720
0.9474 High Similarity NPC460984
0.9464 High Similarity NPC198199
0.9464 High Similarity NPC294629
0.9461 High Similarity NPC267254
0.9461 High Similarity NPC190003
0.9461 High Similarity NPC254540
0.9461 High Similarity NPC48773
0.9461 High Similarity NPC156977
0.9461 High Similarity NPC475155
0.9461 High Similarity NPC175107
0.9461 High Similarity NPC205076
0.9461 High Similarity NPC153755
0.9461 High Similarity NPC211594
0.9461 High Similarity NPC172807
0.9461 High Similarity NPC301683
0.9461 High Similarity NPC307518
0.9461 High Similarity NPC180918
0.9458 High Similarity NPC471457
0.9458 High Similarity NPC210042
0.9458 High Similarity NPC472381
0.9458 High Similarity NPC270578
0.9458 High Similarity NPC95855
0.9458 High Similarity NPC170675
0.9458 High Similarity NPC472383
0.9458 High Similarity NPC112755
0.9458 High Similarity NPC52382
0.9455 High Similarity NPC274618
0.9455 High Similarity NPC197285
0.9455 High Similarity NPC113968
0.9455 High Similarity NPC253662
0.9455 High Similarity NPC308404
0.9455 High Similarity NPC277174
0.9455 High Similarity NPC73855
0.9455 High Similarity NPC88789
0.9455 High Similarity NPC118284
0.9455 High Similarity NPC276222
0.9455 High Similarity NPC115674
0.9455 High Similarity NPC210073
0.9455 High Similarity NPC181616
0.9455 High Similarity NPC145038
0.9455 High Similarity NPC135599
0.9455 High Similarity NPC179950
0.9455 High Similarity NPC8856
0.9455 High Similarity NPC281131
0.9455 High Similarity NPC21100
0.9455 High Similarity NPC99957
0.9455 High Similarity NPC328940
0.9455 High Similarity NPC56077
0.9419 High Similarity NPC470719
0.9419 High Similarity NPC473554
0.9419 High Similarity NPC295625
0.9415 High Similarity NPC162394
0.9415 High Similarity NPC470718
0.9415 High Similarity NPC156785
0.9415 High Similarity NPC241781
0.9415 High Similarity NPC107987
0.9405 High Similarity NPC208668
0.9401 High Similarity NPC474434
0.9401 High Similarity NPC177731
0.9401 High Similarity NPC231194
0.9401 High Similarity NPC44328

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473682 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
0.9758 High Similarity NPD7251 Discontinued
0.9699 High Similarity NPD7808 Phase 3
0.9697 High Similarity NPD6797 Phase 2
0.9636 High Similarity NPD7472 Approved
0.9581 High Similarity NPD4338 Clinical (unspecified phase)
0.9576 High Similarity NPD7054 Approved
0.9401 High Similarity NPD7074 Phase 3
0.9112 High Similarity NPD7804 Clinical (unspecified phase)
0.9053 High Similarity NPD3818 Discontinued
0.9048 High Similarity NPD6168 Clinical (unspecified phase)
0.9048 High Similarity NPD6167 Clinical (unspecified phase)
0.9048 High Similarity NPD6166 Phase 2
0.8848 High Similarity NPD2801 Approved
0.8802 High Similarity NPD4381 Clinical (unspecified phase)
0.8683 High Similarity NPD3817 Phase 2
0.8675 High Similarity NPD1934 Approved
0.8631 High Similarity NPD3882 Suspended
0.8512 High Similarity NPD2393 Clinical (unspecified phase)
0.8466 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD5402 Approved
0.8424 Intermediate Similarity NPD1512 Approved
0.8363 Intermediate Similarity NPD7075 Discontinued
0.8306 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8304 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8303 Intermediate Similarity NPD1511 Approved
0.8266 Intermediate Similarity NPD5494 Approved
0.8225 Intermediate Similarity NPD4380 Phase 2
0.8187 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD6801 Discontinued
0.8111 Intermediate Similarity NPD6559 Discontinued
0.8107 Intermediate Similarity NPD1653 Approved
0.809 Intermediate Similarity NPD3751 Discontinued
0.8068 Intermediate Similarity NPD3787 Discontinued
0.8047 Intermediate Similarity NPD5403 Approved
0.8036 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7989 Intermediate Similarity NPD7228 Approved
0.7976 Intermediate Similarity NPD6799 Approved
0.7944 Intermediate Similarity NPD5844 Phase 1
0.7929 Intermediate Similarity NPD5401 Approved
0.7923 Intermediate Similarity NPD8312 Approved
0.7923 Intermediate Similarity NPD8313 Approved
0.7912 Intermediate Similarity NPD7685 Pre-registration
0.7903 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7876 Intermediate Similarity NPD7435 Discontinued
0.7874 Intermediate Similarity NPD1465 Phase 2
0.7838 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7833 Intermediate Similarity NPD7473 Discontinued
0.7831 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7831 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7812 Intermediate Similarity NPD6780 Approved
0.7812 Intermediate Similarity NPD6776 Approved
0.7812 Intermediate Similarity NPD6777 Approved
0.7812 Intermediate Similarity NPD6779 Approved
0.7812 Intermediate Similarity NPD6781 Approved
0.7812 Intermediate Similarity NPD6778 Approved
0.7812 Intermediate Similarity NPD6782 Approved
0.7809 Intermediate Similarity NPD6959 Discontinued
0.7809 Intermediate Similarity NPD1247 Approved
0.7784 Intermediate Similarity NPD7698 Approved
0.7784 Intermediate Similarity NPD7696 Phase 3
0.7784 Intermediate Similarity NPD1549 Phase 2
0.7784 Intermediate Similarity NPD7697 Approved
0.7771 Intermediate Similarity NPD7819 Suspended
0.7765 Intermediate Similarity NPD6232 Discontinued
0.7722 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7716 Intermediate Similarity NPD7701 Phase 2
0.7701 Intermediate Similarity NPD6599 Discontinued
0.7677 Intermediate Similarity NPD8151 Discontinued
0.7665 Intermediate Similarity NPD2796 Approved
0.7657 Intermediate Similarity NPD7411 Suspended
0.7653 Intermediate Similarity NPD7871 Phase 2
0.7653 Intermediate Similarity NPD7870 Phase 2
0.7647 Intermediate Similarity NPD6190 Approved
0.7638 Intermediate Similarity NPD7874 Approved
0.7638 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.763 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD7240 Approved
0.7619 Intermediate Similarity NPD7266 Discontinued
0.7617 Intermediate Similarity NPD7699 Phase 2
0.7617 Intermediate Similarity NPD7700 Phase 2
0.7616 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD7199 Phase 2
0.7605 Intermediate Similarity NPD1510 Phase 2
0.76 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD7783 Phase 2
0.7598 Intermediate Similarity NPD919 Approved
0.7598 Intermediate Similarity NPD6234 Discontinued
0.7571 Intermediate Similarity NPD8455 Phase 2
0.7552 Intermediate Similarity NPD6535 Approved
0.7552 Intermediate Similarity NPD6534 Approved
0.7527 Intermediate Similarity NPD3926 Phase 2
0.7514 Intermediate Similarity NPD37 Approved
0.7512 Intermediate Similarity NPD7801 Approved
0.7487 Intermediate Similarity NPD7584 Approved
0.7486 Intermediate Similarity NPD4965 Approved
0.7486 Intermediate Similarity NPD4966 Approved
0.7486 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD4967 Phase 2
0.7485 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD1613 Approved
0.7462 Intermediate Similarity NPD6823 Phase 2
0.7387 Intermediate Similarity NPD8320 Phase 1
0.7387 Intermediate Similarity NPD8319 Approved
0.7385 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD943 Approved
0.7365 Intermediate Similarity NPD1240 Approved
0.7356 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD8150 Discontinued
0.733 Intermediate Similarity NPD8434 Phase 2
0.7321 Intermediate Similarity NPD1933 Approved
0.7321 Intermediate Similarity NPD230 Phase 1
0.7293 Intermediate Similarity NPD7768 Phase 2
0.7289 Intermediate Similarity NPD3027 Phase 3
0.7283 Intermediate Similarity NPD3750 Approved
0.7278 Intermediate Similarity NPD1607 Approved
0.7273 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7253 Intermediate Similarity NPD3749 Approved
0.7251 Intermediate Similarity NPD2935 Discontinued
0.7246 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6844 Discontinued
0.7222 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD447 Suspended
0.7193 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD4628 Phase 3
0.7169 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD7680 Approved
0.7151 Intermediate Similarity NPD1551 Phase 2
0.7143 Intermediate Similarity NPD6212 Phase 3
0.7143 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6213 Phase 3
0.7123 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD2532 Approved
0.7119 Intermediate Similarity NPD2533 Approved
0.7119 Intermediate Similarity NPD2534 Approved
0.7112 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD7585 Approved
0.7101 Intermediate Similarity NPD6233 Phase 2
0.7059 Intermediate Similarity NPD7583 Approved
0.7056 Intermediate Similarity NPD7458 Discontinued
0.7039 Intermediate Similarity NPD920 Approved
0.7029 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD2800 Approved
0.7029 Intermediate Similarity NPD6674 Discontinued
0.7016 Intermediate Similarity NPD5953 Discontinued
0.701 Intermediate Similarity NPD7211 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7286 Phase 2
0.6994 Remote Similarity NPD3748 Approved
0.6964 Remote Similarity NPD9494 Approved
0.6961 Remote Similarity NPD3226 Approved
0.6957 Remote Similarity NPD5353 Approved
0.6954 Remote Similarity NPD6099 Approved
0.6954 Remote Similarity NPD6100 Approved
0.6943 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6798 Discontinued
0.6935 Remote Similarity NPD4363 Phase 3
0.6935 Remote Similarity NPD4360 Phase 2
0.6927 Remote Similarity NPD642 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6832 Phase 2
0.6919 Remote Similarity NPD6355 Discontinued
0.6909 Remote Similarity NPD1091 Approved
0.6897 Remote Similarity NPD7033 Discontinued
0.6879 Remote Similarity NPD6651 Approved
0.6872 Remote Similarity NPD7390 Discontinued
0.6869 Remote Similarity NPD7907 Approved
0.6866 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6866 Remote Similarity NPD8059 Phase 3
0.6856 Remote Similarity NPD7549 Discontinued
0.6842 Remote Similarity NPD2313 Discontinued
0.6836 Remote Similarity NPD1243 Approved
0.6836 Remote Similarity NPD1652 Phase 2
0.6826 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6824 Remote Similarity NPD4908 Phase 1
0.6818 Remote Similarity NPD2346 Discontinued
0.6818 Remote Similarity NPD2344 Approved
0.6816 Remote Similarity NPD643 Clinical (unspecified phase)
0.6805 Remote Similarity NPD2798 Approved
0.68 Remote Similarity NPD2799 Discontinued
0.6798 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6793 Remote Similarity NPD6386 Approved
0.6793 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6793 Remote Similarity NPD6385 Approved
0.6789 Remote Similarity NPD5242 Approved
0.6786 Remote Similarity NPD7090 Clinical (unspecified phase)
0.678 Remote Similarity NPD5006 Approved
0.678 Remote Similarity NPD5005 Approved
0.6772 Remote Similarity NPD8127 Discontinued
0.6771 Remote Similarity NPD2163 Approved
0.6768 Remote Similarity NPD6842 Approved
0.6768 Remote Similarity NPD6841 Approved
0.6768 Remote Similarity NPD6843 Phase 3
0.6754 Remote Similarity NPD2403 Approved
0.6746 Remote Similarity NPD1203 Approved
0.6745 Remote Similarity NPD7930 Approved
0.6744 Remote Similarity NPD4907 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10794364
ChEMBL   CHEMBL449077
ZINC  

Physicochemical Properties

Molecular Weight:  654.18
ALogP:  -5.822
MLogP:  2.78
XLogP:  -1.282
# Rotatable Bonds:  20
Polar Surface Area:  263.75
# H-Bond Aceptor:  12
# H-Bond Donor:  9
# Rings:  5
# Heavy Atoms:  46

Download Data

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