Natural Product: NPC471789

Natural Product ID:  NPC471789
Common Name:   Mangiferoxanthone A
IUPAC Name:   1,3,6,7-tetrahydroxy-4-[1,3,6,7-tetrahydroxy-9-oxo-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-4-yl]-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Synonyms:  
Molecular Formula:   C38H34O22
Standard InCHIKey:  LOOSNXLRPYHAAP-ISKHVNHFSA-N
Standard InCHI:  InChI=1S/C38H34O22/c39-5-15-25(47)31(53)33(55)37(59-15)21-27(49)17(35-19(29(21)51)23(45)7-1-9(41)11(43)3-13(7)57-35)18-28(50)22(38-34(56)32(54)26(48)16(6-40)60-38)30(52)20-24(46)8-2-10(42)12(44)4-14(8)58-36(18)20/h1-4,15-16,25-26,31-34,37-44,47-56H,5-6H2/t15-,16-,25-,26-,31+,32+,33-,34-,37+,38+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c(c2c(O)c([C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)c(c3c2oc2cc(O)c(cc2c3=O)O)O)c2c(c1O)c(=O)c1c(o2)cc(c(c1)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
NPO33051 mango tree NA NA NA Stem barks PMID[24613627]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 46.1 % 11754614
NPT3084 Individual Protein Neuraminidase Influenza A virus Inhibition = 55.8 % 20047913

  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 NPC471789 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
0.9759 High Similarity NPC265380
0.9701 High Similarity NPC185275
0.9467 High Similarity NPC324742
0.9306 High Similarity NPC179947
0.9268 High Similarity NPC228383
0.9253 High Similarity NPC473618
0.9212 High Similarity NPC220912
0.9191 High Similarity NPC318119
0.9172 High Similarity NPC271848
0.9172 High Similarity NPC81332
0.9172 High Similarity NPC262580
0.9172 High Similarity NPC186847
0.9172 High Similarity NPC289396
0.9172 High Similarity NPC472454
0.9172 High Similarity NPC257667
0.9172 High Similarity NPC212038
0.9162 High Similarity NPC224851
0.9162 High Similarity NPC272560
0.9133 High Similarity NPC321916
0.9133 High Similarity NPC150977
0.9107 High Similarity NPC14662
0.908 High Similarity NPC49690
0.9075 High Similarity NPC117668
0.9059 High Similarity NPC65333
0.9059 High Similarity NPC100251
0.9053 High Similarity NPC475212
0.9053 High Similarity NPC326877
0.9048 High Similarity NPC320741
0.9048 High Similarity NPC171985
0.9045 High Similarity NPC477082
0.904 High Similarity NPC264302
0.9034 High Similarity NPC477083
0.9034 High Similarity NPC477081
0.9029 High Similarity NPC304322
0.9029 High Similarity NPC112380
0.9023 High Similarity NPC132111
0.9006 High Similarity NPC98583
0.9 High Similarity NPC74559
0.9 High Similarity NPC103307
0.8994 High Similarity NPC243877
0.8994 High Similarity NPC260266
0.8988 High Similarity NPC477840
0.8988 High Similarity NPC259757
0.8983 High Similarity NPC187632
0.8983 High Similarity NPC472721
0.8983 High Similarity NPC472724
0.8983 High Similarity NPC93065
0.8983 High Similarity NPC469652
0.8983 High Similarity NPC31208
0.8983 High Similarity NPC472720
0.8983 High Similarity NPC160543
0.8982 High Similarity NPC477841
0.8977 High Similarity NPC139683
0.8977 High Similarity NPC73929
0.8977 High Similarity NPC47905
0.8966 High Similarity NPC125352
0.8941 High Similarity NPC107627
0.8927 High Similarity NPC158214
0.8927 High Similarity NPC240200
0.8927 High Similarity NPC290289
0.8927 High Similarity NPC223534
0.8922 High Similarity NPC142252
0.892 High Similarity NPC261623
0.892 High Similarity NPC469650
0.892 High Similarity NPC111490
0.8914 High Similarity NPC123259
0.8914 High Similarity NPC129533
0.8902 High Similarity NPC216307
0.8889 High Similarity NPC476365
0.8882 High Similarity NPC117854
0.8882 High Similarity NPC6588
0.8882 High Similarity NPC477154
0.887 High Similarity NPC269625
0.887 High Similarity NPC65489
0.887 High Similarity NPC469649
0.887 High Similarity NPC260521
0.8869 High Similarity NPC219927
0.8869 High Similarity NPC476247
0.8864 High Similarity NPC231254
0.8844 High Similarity NPC99591
0.8844 High Similarity NPC142996
0.8837 High Similarity NPC28589
0.8837 High Similarity NPC174700
0.8837 High Similarity NPC248593
0.883 High Similarity NPC177480
0.8827 High Similarity NPC40078
0.8827 High Similarity NPC97924
0.8827 High Similarity NPC471091
0.8824 High Similarity NPC251336
0.8817 High Similarity NPC146134
0.8817 High Similarity NPC63438
0.8817 High Similarity NPC7483
0.881 High Similarity NPC158188
0.881 High Similarity NPC134783
0.881 High Similarity NPC471212
0.881 High Similarity NPC3629
0.881 High Similarity NPC471211
0.8807 High Similarity NPC476203
0.8802 High Similarity NPC53545
0.8802 High Similarity NPC117418
0.8793 High Similarity NPC255799
0.8786 High Similarity NPC168789
0.8786 High Similarity NPC25724
0.8772 High Similarity NPC295082
0.8772 High Similarity NPC8965
0.8765 High Similarity NPC37183
0.8765 High Similarity NPC36916
0.8765 High Similarity NPC7688
0.8765 High Similarity NPC58223
0.8765 High Similarity NPC7154
0.8765 High Similarity NPC36
0.8765 High Similarity NPC72787
0.8765 High Similarity NPC50960
0.8765 High Similarity NPC471788
0.8765 High Similarity NPC125039
0.8764 High Similarity NPC64755
0.8764 High Similarity NPC237202
0.8757 High Similarity NPC474034
0.8757 High Similarity NPC474033
0.8757 High Similarity NPC52204
0.875 High Similarity NPC101731
0.875 High Similarity NPC471976
0.875 High Similarity NPC472630
0.875 High Similarity NPC188967
0.875 High Similarity NPC472631
0.875 High Similarity NPC174953
0.8743 High Similarity NPC476618
0.8743 High Similarity NPC223787
0.8743 High Similarity NPC476619
0.8743 High Similarity NPC262286
0.8743 High Similarity NPC476622
0.8743 High Similarity NPC185526
0.8743 High Similarity NPC475261
0.8743 High Similarity NPC476620
0.8743 High Similarity NPC476621
0.8743 High Similarity NPC475783
0.8743 High Similarity NPC476623
0.8743 High Similarity NPC36852
0.8743 High Similarity NPC174140
0.8736 High Similarity NPC102028
0.8736 High Similarity NPC3474
0.8735 High Similarity NPC134171
0.8735 High Similarity NPC113906
0.8735 High Similarity NPC300668
0.8728 High Similarity NPC121333
0.8728 High Similarity NPC301683
0.8728 High Similarity NPC156977
0.8728 High Similarity NPC4200
0.8721 High Similarity NPC53252
0.8721 High Similarity NPC242395
0.8721 High Similarity NPC300307
0.8721 High Similarity NPC105283
0.8721 High Similarity NPC183036
0.8715 High Similarity NPC269046
0.8713 High Similarity NPC207575
0.8713 High Similarity NPC13481
0.8713 High Similarity NPC277480
0.8713 High Similarity NPC471213
0.8713 High Similarity NPC128293
0.8713 High Similarity NPC120593
0.8708 High Similarity NPC87583
0.8706 High Similarity NPC41301
0.8706 High Similarity NPC473313
0.8706 High Similarity NPC272064
0.8706 High Similarity NPC152659
0.8706 High Similarity NPC236521
0.8706 High Similarity NPC273959
0.8706 High Similarity NPC329669
0.8706 High Similarity NPC472278
0.8706 High Similarity NPC248638
0.8698 High Similarity NPC474351
0.8698 High Similarity NPC475883
0.8698 High Similarity NPC66618
0.8698 High Similarity NPC305987
0.8698 High Similarity NPC165970
0.8698 High Similarity NPC26326
0.8698 High Similarity NPC278052
0.8698 High Similarity NPC471210
0.8698 High Similarity NPC113163
0.8698 High Similarity NPC289771
0.8698 High Similarity NPC40491
0.8698 High Similarity NPC84324
0.8698 High Similarity NPC266314
0.8698 High Similarity NPC472632
0.8698 High Similarity NPC196179
0.8698 High Similarity NPC34089
0.8698 High Similarity NPC288131
0.8698 High Similarity NPC472634
0.8698 High Similarity NPC474186
0.8693 High Similarity NPC473895
0.8693 High Similarity NPC473785
0.869 High Similarity NPC250214
0.869 High Similarity NPC95936
0.869 High Similarity NPC473990
0.869 High Similarity NPC469658
0.869 High Similarity NPC15815
0.869 High Similarity NPC51247
0.869 High Similarity NPC190487
0.869 High Similarity NPC154304
0.869 High Similarity NPC123544

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471789 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
0.8837 High Similarity NPD7993 Clinical (unspecified phase)
0.8765 High Similarity NPD6168 Clinical (unspecified phase)
0.8765 High Similarity NPD6166 Phase 2
0.8765 High Similarity NPD6167 Clinical (unspecified phase)
0.8698 High Similarity NPD6959 Discontinued
0.8571 High Similarity NPD4868 Clinical (unspecified phase)
0.8563 High Similarity NPD7074 Phase 3
0.8563 High Similarity NPD2393 Clinical (unspecified phase)
0.8457 Intermediate Similarity NPD7472 Approved
0.8421 Intermediate Similarity NPD5494 Approved
0.84 Intermediate Similarity NPD7054 Approved
0.8393 Intermediate Similarity NPD1934 Approved
0.8383 Intermediate Similarity NPD4380 Phase 2
0.8362 Intermediate Similarity NPD7251 Discontinued
0.8343 Intermediate Similarity NPD2801 Approved
0.8315 Intermediate Similarity NPD7808 Phase 3
0.8305 Intermediate Similarity NPD6797 Phase 2
0.8295 Intermediate Similarity NPD5844 Phase 1
0.8294 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8242 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD3818 Discontinued
0.8229 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8212 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8192 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8167 Intermediate Similarity NPD8313 Approved
0.8167 Intermediate Similarity NPD8312 Approved
0.8129 Intermediate Similarity NPD1465 Phase 2
0.8092 Intermediate Similarity NPD7075 Discontinued
0.8092 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8079 Intermediate Similarity NPD7473 Discontinued
0.8035 Intermediate Similarity NPD3882 Suspended
0.8035 Intermediate Similarity NPD7768 Phase 2
0.8024 Intermediate Similarity NPD1511 Approved
0.8023 Intermediate Similarity NPD7819 Suspended
0.8011 Intermediate Similarity NPD6232 Discontinued
0.7957 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD1512 Approved
0.7919 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD7411 Suspended
0.7897 Intermediate Similarity NPD8151 Discontinued
0.7874 Intermediate Similarity NPD5402 Approved
0.787 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD6801 Discontinued
0.7857 Intermediate Similarity NPD6559 Discontinued
0.7831 Intermediate Similarity NPD1549 Phase 2
0.7816 Intermediate Similarity NPD8455 Phase 2
0.7771 Intermediate Similarity NPD3817 Phase 2
0.7771 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD7783 Phase 2
0.7684 Intermediate Similarity NPD3749 Approved
0.7637 Intermediate Similarity NPD3751 Discontinued
0.7611 Intermediate Similarity NPD3787 Discontinued
0.7602 Intermediate Similarity NPD7390 Discontinued
0.7556 Intermediate Similarity NPD1247 Approved
0.7551 Intermediate Similarity NPD7696 Phase 3
0.7551 Intermediate Similarity NPD7697 Approved
0.7551 Intermediate Similarity NPD7698 Approved
0.7545 Intermediate Similarity NPD1510 Phase 2
0.7541 Intermediate Similarity NPD7228 Approved
0.7513 Intermediate Similarity NPD7870 Phase 2
0.7513 Intermediate Similarity NPD7871 Phase 2
0.75 Intermediate Similarity NPD2796 Approved
0.75 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7487 Intermediate Similarity NPD6777 Approved
0.7487 Intermediate Similarity NPD6779 Approved
0.7487 Intermediate Similarity NPD6782 Approved
0.7487 Intermediate Similarity NPD6778 Approved
0.7487 Intermediate Similarity NPD6780 Approved
0.7487 Intermediate Similarity NPD6776 Approved
0.7487 Intermediate Similarity NPD7701 Phase 2
0.7487 Intermediate Similarity NPD6781 Approved
0.7473 Intermediate Similarity NPD3926 Phase 2
0.7471 Intermediate Similarity NPD5403 Approved
0.7462 Intermediate Similarity NPD7435 Discontinued
0.746 Intermediate Similarity NPD8150 Discontinued
0.7457 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD943 Approved
0.741 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.741 Intermediate Similarity NPD1613 Approved
0.7399 Intermediate Similarity NPD6799 Approved
0.7385 Intermediate Similarity NPD7700 Phase 2
0.7385 Intermediate Similarity NPD7699 Phase 2
0.7368 Intermediate Similarity NPD2800 Approved
0.7356 Intermediate Similarity NPD5401 Approved
0.7345 Intermediate Similarity NPD6599 Discontinued
0.7333 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7327 Intermediate Similarity NPD7874 Approved
0.7323 Intermediate Similarity NPD6823 Phase 2
0.731 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD1240 Approved
0.7294 Intermediate Similarity NPD2935 Discontinued
0.7291 Intermediate Similarity NPD7801 Approved
0.7283 Intermediate Similarity NPD6190 Approved
0.7277 Intermediate Similarity NPD8434 Phase 2
0.7267 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD2533 Approved
0.7257 Intermediate Similarity NPD2532 Approved
0.7257 Intermediate Similarity NPD2534 Approved
0.7253 Intermediate Similarity NPD919 Approved
0.7253 Intermediate Similarity NPD6234 Discontinued
0.7232 Intermediate Similarity NPD1653 Approved
0.7231 Intermediate Similarity NPD6535 Approved
0.7231 Intermediate Similarity NPD6534 Approved
0.7225 Intermediate Similarity NPD3750 Approved
0.7219 Intermediate Similarity NPD1607 Approved
0.7212 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7240 Approved
0.7196 Intermediate Similarity NPD7685 Pre-registration
0.7191 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD3226 Approved
0.7175 Intermediate Similarity NPD920 Approved
0.7175 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD7199 Phase 2
0.7169 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7167 Intermediate Similarity NPD37 Approved
0.7164 Intermediate Similarity NPD8320 Phase 1
0.7164 Intermediate Similarity NPD8319 Approved
0.716 Intermediate Similarity NPD230 Phase 1
0.7159 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4966 Approved
0.7143 Intermediate Similarity NPD4965 Approved
0.7143 Intermediate Similarity NPD4967 Phase 2
0.7135 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7286 Phase 2
0.7126 Intermediate Similarity NPD4628 Phase 3
0.7118 Intermediate Similarity NPD6651 Approved
0.711 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD5953 Discontinued
0.7052 Intermediate Similarity NPD2344 Approved
0.7035 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3027 Phase 3
0.701 Intermediate Similarity NPD7584 Approved
0.7005 Intermediate Similarity NPD6213 Phase 3
0.7005 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD6212 Phase 3
0.7005 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7458 Discontinued
0.6994 Remote Similarity NPD5404 Approved
0.6994 Remote Similarity NPD1551 Phase 2
0.6994 Remote Similarity NPD5406 Approved
0.6994 Remote Similarity NPD6100 Approved
0.6994 Remote Similarity NPD5405 Approved
0.6994 Remote Similarity NPD5408 Approved
0.6994 Remote Similarity NPD6099 Approved
0.6989 Remote Similarity NPD8127 Discontinued
0.6979 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6978 Remote Similarity NPD6844 Discontinued
0.6971 Remote Similarity NPD1243 Approved
0.697 Remote Similarity NPD4363 Phase 3
0.697 Remote Similarity NPD4360 Phase 2
0.6964 Remote Similarity NPD4908 Phase 1
0.6954 Remote Similarity NPD2346 Discontinued
0.6952 Remote Similarity NPD7229 Phase 3
0.6949 Remote Similarity NPD643 Clinical (unspecified phase)
0.6936 Remote Similarity NPD2799 Discontinued
0.6936 Remote Similarity NPD3748 Approved
0.6932 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6893 Remote Similarity NPD2309 Approved
0.6882 Remote Similarity NPD2313 Discontinued
0.6882 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6863 Remote Similarity NPD7680 Approved
0.6862 Remote Similarity NPD5711 Approved
0.6862 Remote Similarity NPD5710 Approved
0.686 Remote Similarity NPD447 Suspended
0.6857 Remote Similarity NPD7266 Discontinued
0.6853 Remote Similarity NPD4287 Approved
0.6836 Remote Similarity NPD8166 Discontinued
0.6836 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6832 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6822 Remote Similarity NPD7907 Approved
0.682 Remote Similarity NPD8059 Phase 3
0.682 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6816 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7177 Discontinued
0.6804 Remote Similarity NPD7549 Discontinued
0.6749 Remote Similarity NPD8285 Discontinued
0.6747 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6742 Remote Similarity NPD7003 Approved
0.6739 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6729 Remote Similarity NPD4665 Approved
0.6729 Remote Similarity NPD4111 Phase 1
0.672 Remote Similarity NPD5353 Approved
0.6719 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6715 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6706 Remote Similarity NPD2861 Phase 2
0.6706 Remote Similarity NPD9494 Approved
0.6685 Remote Similarity NPD6674 Discontinued
0.6667 Remote Similarity NPD1933 Approved
0.6667 Remote Similarity NPD6832 Phase 2
0.6667 Remote Similarity NPD5761 Phase 2
0.6667 Remote Similarity NPD5760 Phase 2
0.6651 Remote Similarity NPD7585 Approved
0.665 Remote Similarity NPD8054 Approved

Structure

External Identifiers

PubChem CID   90670083
ChEMBL   CHEMBL3233511
ZINC  

Physicochemical Properties

Molecular Weight:  842.15
ALogP:  -8.9896
MLogP:  3.22
XLogP:  -4.822
# Rotatable Bonds:  21
Polar Surface Area:  394.74
# H-Bond Aceptor:  12
# H-Bond Donor:  16
# Rings:  8
# Heavy Atoms:  60

Download Data

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