Natural Product: NPC477083

Natural Product ID:  NPC477083
Common Name:   Oenothein C
IUPAC Name:  
Synonyms:   Oenothein C
Molecular Formula:   C34H24O22
Standard InCHIKey:  UCTUGQCJSNXNNR-URKRHJQISA-N
Standard InCHI:  InChI=1S/C34H24O22/c35-6-16-23(44)28(55-30(46)7-1-11(36)19(40)12(37)2-7)29(34(50)52-16)56-33(49)10-4-13(38)20(41)24(45)25(10)51-15-5-9-18-17-8(31(47)54-27(18)22(15)43)3-14(39)21(42)26(17)53-32(9)48/h1-5,16,23,28-29,34-45,50H,6H2/t16-,23-,28+,29-,34?/m1/s1
Canonical SMILES:  OC[C@H]1OC(O)[C@@H]([C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O)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
NPO33605 Eugenia jambolana Species Myrtaceae Eukaryota Seeds Gujarat, India 2010 PMID[22867049]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 75100 nM 22867049

  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 NPC477083 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 NPC477081
0.9771 High Similarity NPC477082
0.9767 High Similarity NPC111490
0.9767 High Similarity NPC469650
0.9767 High Similarity NPC261623
0.9713 High Similarity NPC31208
0.9713 High Similarity NPC472721
0.9713 High Similarity NPC160543
0.9713 High Similarity NPC93065
0.9713 High Similarity NPC472724
0.9713 High Similarity NPC187632
0.9713 High Similarity NPC469652
0.9713 High Similarity NPC472720
0.9655 High Similarity NPC158214
0.9655 High Similarity NPC290289
0.9655 High Similarity NPC223534
0.9655 High Similarity NPC240200
0.9598 High Similarity NPC260521
0.9598 High Similarity NPC469649
0.9545 High Similarity NPC97924
0.9545 High Similarity NPC40078
0.9545 High Similarity NPC471091
0.9538 High Similarity NPC129533
0.9538 High Similarity NPC123259
0.9535 High Similarity NPC80956
0.9483 High Similarity NPC231254
0.9432 High Similarity NPC269046
0.9419 High Similarity NPC297574
0.9375 High Similarity NPC237202
0.9375 High Similarity NPC179947
0.9375 High Similarity NPC65489
0.9368 High Similarity NPC8940
0.9333 High Similarity NPC3474
0.9326 High Similarity NPC264302
0.9322 High Similarity NPC473618
0.9322 High Similarity NPC119094
0.9322 High Similarity NPC173872
0.9306 High Similarity NPC472723
0.927 High Similarity NPC201814
0.9253 High Similarity NPC476621
0.9253 High Similarity NPC265380
0.9253 High Similarity NPC476618
0.9253 High Similarity NPC476619
0.9253 High Similarity NPC476623
0.9253 High Similarity NPC476622
0.9253 High Similarity NPC476620
0.9231 High Similarity NPC174140
0.9227 High Similarity NPC189312
0.9213 High Similarity NPC7839
0.9213 High Similarity NPC142291
0.92 High Similarity NPC472725
0.92 High Similarity NPC185275
0.92 High Similarity NPC472726
0.9191 High Similarity NPC219600
0.9191 High Similarity NPC34436
0.9191 High Similarity NPC263119
0.9191 High Similarity NPC166674
0.9191 High Similarity NPC473550
0.9191 High Similarity NPC46640
0.9186 High Similarity NPC181778
0.9157 High Similarity NPC269625
0.9153 High Similarity NPC49690
0.9148 High Similarity NPC125352
0.9143 High Similarity NPC472387
0.9123 High Similarity NPC175793
0.9086 High Similarity NPC472991
0.9086 High Similarity NPC472992
0.907 High Similarity NPC311389
0.907 High Similarity NPC470271
0.9045 High Similarity NPC472722
0.904 High Similarity NPC117668
0.904 High Similarity NPC208797
0.904 High Similarity NPC53680
0.9034 High Similarity NPC471789
0.9023 High Similarity NPC47140
0.9023 High Similarity NPC67134
0.9017 High Similarity NPC95421
0.9017 High Similarity NPC198125
0.8989 High Similarity NPC476203
0.8989 High Similarity NPC297503
0.8989 High Similarity NPC132111
0.8989 High Similarity NPC97119
0.8989 High Similarity NPC135831
0.8983 High Similarity NPC471030
0.8983 High Similarity NPC324742
0.8971 High Similarity NPC172033
0.8971 High Similarity NPC88560
0.8971 High Similarity NPC239549
0.8971 High Similarity NPC51774
0.8971 High Similarity NPC175230
0.8971 High Similarity NPC236191
0.8966 High Similarity NPC149011
0.8966 High Similarity NPC34287
0.8966 High Similarity NPC470272
0.8966 High Similarity NPC471416
0.8966 High Similarity NPC204937
0.896 High Similarity NPC261411
0.896 High Similarity NPC473818
0.896 High Similarity NPC31034
0.896 High Similarity NPC190204
0.896 High Similarity NPC43918
0.8944 High Similarity NPC72554
0.8944 High Similarity NPC105591
0.8944 High Similarity NPC30011
0.8944 High Similarity NPC97817
0.8939 High Similarity NPC470416
0.8939 High Similarity NPC318119
0.8933 High Similarity NPC469371
0.892 High Similarity NPC102028
0.892 High Similarity NPC142996
0.8914 High Similarity NPC289396
0.8914 High Similarity NPC212038
0.8914 High Similarity NPC259152
0.8914 High Similarity NPC156977
0.8914 High Similarity NPC3583
0.8914 High Similarity NPC267254
0.8914 High Similarity NPC5786
0.8914 High Similarity NPC301683
0.8914 High Similarity NPC271848
0.8914 High Similarity NPC472386
0.8914 High Similarity NPC65333
0.8914 High Similarity NPC38438
0.8914 High Similarity NPC81332
0.8914 High Similarity NPC262580
0.8914 High Similarity NPC102851
0.8908 High Similarity NPC112755
0.8908 High Similarity NPC149300
0.8908 High Similarity NPC471457
0.8908 High Similarity NPC183036
0.8908 High Similarity NPC170675
0.8907 High Similarity NPC476358
0.8895 High Similarity NPC67959
0.8889 High Similarity NPC473554
0.8889 High Similarity NPC474093
0.8889 High Similarity NPC112380
0.8889 High Similarity NPC104910
0.8889 High Similarity NPC295625
0.8889 High Similarity NPC241847
0.8889 High Similarity NPC470719
0.8883 High Similarity NPC321916
0.8883 High Similarity NPC36138
0.8883 High Similarity NPC470718
0.8871 High Similarity NPC470450
0.887 High Similarity NPC67629
0.887 High Similarity NPC268533
0.887 High Similarity NPC79736
0.8864 High Similarity NPC163165
0.8864 High Similarity NPC472993
0.8857 High Similarity NPC22195
0.8857 High Similarity NPC52353
0.8857 High Similarity NPC183357
0.8857 High Similarity NPC224462
0.8857 High Similarity NPC47521
0.8857 High Similarity NPC476365
0.8857 High Similarity NPC474434
0.8857 High Similarity NPC44558
0.8857 High Similarity NPC21190
0.8851 High Similarity NPC45400
0.8851 High Similarity NPC14662
0.8851 High Similarity NPC249977
0.8851 High Similarity NPC298847
0.884 High Similarity NPC475179
0.8837 High Similarity NPC291957
0.8837 High Similarity NPC14030
0.8833 High Similarity NPC470451
0.8833 High Similarity NPC470713
0.8833 High Similarity NPC223860
0.8833 High Similarity NPC275977
0.8833 High Similarity NPC470455
0.8833 High Similarity NPC470720
0.8833 High Similarity NPC25946
0.8833 High Similarity NPC249560
0.8833 High Similarity NPC460984
0.8833 High Similarity NPC21359
0.8833 High Similarity NPC470717
0.8827 High Similarity NPC164047
0.8827 High Similarity NPC470448
0.8827 High Similarity NPC470453
0.8827 High Similarity NPC470452
0.8827 High Similarity NPC170203
0.882 High Similarity NPC113836
0.882 High Similarity NPC196127
0.882 High Similarity NPC37668
0.882 High Similarity NPC475261
0.882 High Similarity NPC293626
0.882 High Similarity NPC120952
0.882 High Similarity NPC253521
0.882 High Similarity NPC258044
0.882 High Similarity NPC267680
0.882 High Similarity NPC267549
0.882 High Similarity NPC217387
0.8807 High Similarity NPC100251
0.8807 High Similarity NPC257011
0.8807 High Similarity NPC288152
0.8807 High Similarity NPC254540
0.8807 High Similarity NPC137871
0.8807 High Similarity NPC260263
0.8807 High Similarity NPC172807
0.8807 High Similarity NPC205076
0.8807 High Similarity NPC48773

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477083 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
0.8807 High Similarity NPD7993 Clinical (unspecified phase)
0.875 High Similarity NPD7074 Phase 3
0.8708 High Similarity NPD4338 Clinical (unspecified phase)
0.8655 High Similarity NPD4868 Clinical (unspecified phase)
0.8644 High Similarity NPD7472 Approved
0.8588 High Similarity NPD7054 Approved
0.8588 High Similarity NPD5844 Phase 1
0.8538 High Similarity NPD1465 Phase 2
0.8531 High Similarity NPD3818 Discontinued
0.8525 High Similarity NPD8397 Clinical (unspecified phase)
0.8523 High Similarity NPD6167 Clinical (unspecified phase)
0.8523 High Similarity NPD6168 Clinical (unspecified phase)
0.8523 High Similarity NPD6166 Phase 2
0.85 High Similarity NPD7808 Phase 3
0.8492 Intermediate Similarity NPD6797 Phase 2
0.8453 Intermediate Similarity NPD8313 Approved
0.8453 Intermediate Similarity NPD8312 Approved
0.8444 Intermediate Similarity NPD7251 Discontinued
0.8286 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8249 Intermediate Similarity NPD6959 Discontinued
0.8235 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8202 Intermediate Similarity NPD6232 Discontinued
0.8163 Intermediate Similarity NPD8151 Discontinued
0.8161 Intermediate Similarity NPD1934 Approved
0.8122 Intermediate Similarity NPD7228 Approved
0.8114 Intermediate Similarity NPD2801 Approved
0.8081 Intermediate Similarity NPD7783 Phase 2
0.8081 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8066 Intermediate Similarity NPD7473 Discontinued
0.8011 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD8455 Phase 2
0.7989 Intermediate Similarity NPD5494 Approved
0.7978 Intermediate Similarity NPD3749 Approved
0.7946 Intermediate Similarity NPD6559 Discontinued
0.7931 Intermediate Similarity NPD1653 Approved
0.791 Intermediate Similarity NPD7819 Suspended
0.7865 Intermediate Similarity NPD3817 Phase 2
0.7865 Intermediate Similarity NPD5402 Approved
0.7845 Intermediate Similarity NPD7199 Phase 2
0.7841 Intermediate Similarity NPD4380 Phase 2
0.7833 Intermediate Similarity NPD6234 Discontinued
0.7826 Intermediate Similarity NPD3751 Discontinued
0.7821 Intermediate Similarity NPD7768 Phase 2
0.7821 Intermediate Similarity NPD3882 Suspended
0.7802 Intermediate Similarity NPD3787 Discontinued
0.7778 Intermediate Similarity NPD7075 Discontinued
0.7754 Intermediate Similarity NPD7240 Approved
0.7753 Intermediate Similarity NPD37 Approved
0.7727 Intermediate Similarity NPD7435 Discontinued
0.7722 Intermediate Similarity NPD4965 Approved
0.7722 Intermediate Similarity NPD4967 Phase 2
0.7722 Intermediate Similarity NPD4966 Approved
0.7701 Intermediate Similarity NPD1511 Approved
0.7697 Intermediate Similarity NPD7411 Suspended
0.7684 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7665 Intermediate Similarity NPD6776 Approved
0.7665 Intermediate Similarity NPD6777 Approved
0.7665 Intermediate Similarity NPD6780 Approved
0.7665 Intermediate Similarity NPD6782 Approved
0.7665 Intermediate Similarity NPD6781 Approved
0.7665 Intermediate Similarity NPD6778 Approved
0.7665 Intermediate Similarity NPD6779 Approved
0.7663 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD7685 Pre-registration
0.7638 Intermediate Similarity NPD7697 Approved
0.7638 Intermediate Similarity NPD7696 Phase 3
0.7638 Intermediate Similarity NPD7698 Approved
0.7614 Intermediate Similarity NPD1512 Approved
0.7611 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD7871 Phase 2
0.76 Intermediate Similarity NPD7870 Phase 2
0.7586 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD7874 Approved
0.7574 Intermediate Similarity NPD7701 Phase 2
0.7571 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD6801 Discontinued
0.7514 Intermediate Similarity NPD1549 Phase 2
0.7475 Intermediate Similarity NPD7700 Phase 2
0.7475 Intermediate Similarity NPD7699 Phase 2
0.7472 Intermediate Similarity NPD5403 Approved
0.7457 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3750 Approved
0.7426 Intermediate Similarity NPD8319 Approved
0.7426 Intermediate Similarity NPD8320 Phase 1
0.7414 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD6823 Phase 2
0.7411 Intermediate Similarity NPD6534 Approved
0.7411 Intermediate Similarity NPD6535 Approved
0.7401 Intermediate Similarity NPD6799 Approved
0.7386 Intermediate Similarity NPD6190 Approved
0.7379 Intermediate Similarity NPD7801 Approved
0.7376 Intermediate Similarity NPD7680 Approved
0.7371 Intermediate Similarity NPD8150 Discontinued
0.736 Intermediate Similarity NPD2533 Approved
0.736 Intermediate Similarity NPD5401 Approved
0.736 Intermediate Similarity NPD2534 Approved
0.736 Intermediate Similarity NPD2532 Approved
0.736 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.735 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD6599 Discontinued
0.7311 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7303 Intermediate Similarity NPD7390 Discontinued
0.7303 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD3226 Approved
0.7287 Intermediate Similarity NPD3926 Phase 2
0.7267 Intermediate Similarity NPD230 Phase 1
0.7263 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD919 Approved
0.7257 Intermediate Similarity NPD7266 Discontinued
0.7241 Intermediate Similarity NPD1510 Phase 2
0.7232 Intermediate Similarity NPD4628 Phase 3
0.7209 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD1613 Approved
0.72 Intermediate Similarity NPD2796 Approved
0.72 Intermediate Similarity NPD2935 Discontinued
0.7194 Intermediate Similarity NPD8434 Phase 2
0.7186 Intermediate Similarity NPD6213 Phase 3
0.7186 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD6212 Phase 3
0.7181 Intermediate Similarity NPD8127 Discontinued
0.7181 Intermediate Similarity NPD1247 Approved
0.7168 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD3748 Approved
0.7121 Intermediate Similarity NPD4287 Approved
0.711 Intermediate Similarity NPD943 Approved
0.7102 Intermediate Similarity NPD1551 Phase 2
0.7102 Intermediate Similarity NPD5408 Approved
0.7102 Intermediate Similarity NPD5405 Approved
0.7102 Intermediate Similarity NPD5404 Approved
0.7102 Intermediate Similarity NPD5406 Approved
0.7079 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD7549 Discontinued
0.7069 Intermediate Similarity NPD1933 Approved
0.7059 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD1240 Approved
0.7011 Intermediate Similarity NPD7458 Discontinued
0.7005 Intermediate Similarity NPD5619 Clinical (unspecified phase)
0.6995 Remote Similarity NPD920 Approved
0.6983 Remote Similarity NPD6674 Discontinued
0.6978 Remote Similarity NPD642 Clinical (unspecified phase)
0.6977 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6966 Remote Similarity NPD2346 Discontinued
0.6963 Remote Similarity NPD5710 Approved
0.6963 Remote Similarity NPD7229 Phase 3
0.6963 Remote Similarity NPD5711 Approved
0.6949 Remote Similarity NPD651 Clinical (unspecified phase)
0.694 Remote Similarity NPD6273 Approved
0.6938 Remote Similarity NPD7584 Approved
0.6936 Remote Similarity NPD3027 Phase 3
0.6932 Remote Similarity NPD1607 Approved
0.6919 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6909 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6909 Remote Similarity NPD8059 Phase 3
0.6907 Remote Similarity NPD7177 Discontinued
0.6905 Remote Similarity NPD7585 Approved
0.6897 Remote Similarity NPD6859 Clinical (unspecified phase)
0.689 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6889 Remote Similarity NPD1243 Approved
0.6888 Remote Similarity NPD5953 Discontinued
0.6869 Remote Similarity NPD7930 Approved
0.6868 Remote Similarity NPD643 Clinical (unspecified phase)
0.6857 Remote Similarity NPD7583 Approved
0.6854 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6851 Remote Similarity NPD7003 Approved
0.6851 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6839 Remote Similarity NPD5242 Approved
0.6827 Remote Similarity NPD5006 Approved
0.6827 Remote Similarity NPD5005 Approved
0.6825 Remote Similarity NPD5353 Approved
0.6802 Remote Similarity NPD1203 Approved
0.68 Remote Similarity NPD3764 Approved
0.6796 Remote Similarity NPD2800 Approved
0.6786 Remote Similarity NPD7286 Phase 2
0.6782 Remote Similarity NPD4908 Phase 1
0.6782 Remote Similarity NPD6832 Phase 2
0.6778 Remote Similarity NPD2344 Approved
0.6768 Remote Similarity NPD7039 Approved
0.6768 Remote Similarity NPD7038 Approved
0.6763 Remote Similarity NPD8285 Discontinued
0.6761 Remote Similarity NPD6233 Phase 2
0.676 Remote Similarity NPD2799 Discontinued
0.6758 Remote Similarity NPD8166 Discontinued
0.6737 Remote Similarity NPD4288 Approved
0.6725 Remote Similarity NPD9269 Phase 2
0.6722 Remote Similarity NPD6100 Approved
0.6722 Remote Similarity NPD6099 Approved
0.6715 Remote Similarity NPD4420 Approved
0.6705 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6705 Remote Similarity NPD2313 Discontinued
0.6705 Remote Similarity NPD6798 Discontinued

Structure

External Identifiers

PubChem CID   9962370
ChEMBL   CHEMBL2087576
ZINC  

Physicochemical Properties

Molecular Weight:  784.08
ALogP:  -6.254
MLogP:  2.78
XLogP:  -1.206
# Rotatable Bonds:  21
Polar Surface Area:  366.42
# H-Bond Aceptor:  10
# H-Bond Donor:  12
# Rings:  7
# Heavy Atoms:  56

Download Data

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