Natural Product: NPC477082

Natural Product ID:  NPC477082
Common Name:   Cornussin B
IUPAC Name:  
Synonyms:   Cornussin B
Molecular Formula:   C48H30O30
Standard InCHIKey:  FXMMOVFHEXMYDE-YMZIRVHQSA-N
Standard InCHI:  InChI=1S/C48H30O30/c49-14-1-9(2-15(50)28(14)55)42(64)77-40-38-22(8-71-43(65)10-3-16(51)29(56)34(61)24(10)25-11(44(66)75-38)4-17(52)30(57)35(25)62)74-48(70)41(40)78-46(68)13-5-18(53)31(58)36(63)37(13)72-21-6-12-23-26-20(73-47(69)27(23)33(21)60)7-19(54)32(59)39(26)76-45(12)67/h1-7,22,38,40-41,48-63,70H,8H2/t22-,38-,40+,41-,48?/m1/s1
Canonical SMILES:  OC1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@H]1OC(=O)c1cc(O)c(c(c1Oc1cc2c(=O)oc4c5c2c(c1O)c(=O)oc5cc(c4O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O)cc(O)c(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 = 12200 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 NPC477082 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
0.9771 High Similarity NPC477081
0.9771 High Similarity NPC477083
0.9657 High Similarity NPC469650
0.9605 High Similarity NPC31208
0.9605 High Similarity NPC472720
0.9605 High Similarity NPC469652
0.9605 High Similarity NPC187632
0.9605 High Similarity NPC472721
0.9605 High Similarity NPC472724
0.9605 High Similarity NPC160543
0.9605 High Similarity NPC93065
0.9548 High Similarity NPC290289
0.9548 High Similarity NPC223534
0.9548 High Similarity NPC269046
0.9548 High Similarity NPC240200
0.9548 High Similarity NPC158214
0.9545 High Similarity NPC111490
0.9545 High Similarity NPC261623
0.9543 High Similarity NPC129533
0.9543 High Similarity NPC123259
0.9492 High Similarity NPC260521
0.9492 High Similarity NPC469649
0.9492 High Similarity NPC237202
0.9441 High Similarity NPC471091
0.9441 High Similarity NPC97924
0.9441 High Similarity NPC40078
0.9382 High Similarity NPC179947
0.9344 High Similarity NPC174140
0.9333 High Similarity NPC264302
0.933 High Similarity NPC473618
0.9318 High Similarity NPC80956
0.9274 High Similarity NPC65489
0.927 High Similarity NPC231254
0.9266 High Similarity NPC8940
0.9266 High Similarity NPC125352
0.9261 High Similarity NPC265380
0.9235 High Similarity NPC3474
0.9222 High Similarity NPC119094
0.9222 High Similarity NPC173872
0.9209 High Similarity NPC185275
0.9205 High Similarity NPC297574
0.9162 High Similarity NPC49690
0.913 High Similarity NPC189312
0.9116 High Similarity NPC7839
0.9116 High Similarity NPC142291
0.9101 High Similarity NPC472725
0.9101 High Similarity NPC472726
0.9096 High Similarity NPC472723
0.9066 High Similarity NPC201814
0.9061 High Similarity NPC269625
0.905 High Similarity NPC117668
0.905 High Similarity NPC208797
0.905 High Similarity NPC53680
0.9045 High Similarity NPC476620
0.9045 High Similarity NPC476618
0.9045 High Similarity NPC476623
0.9045 High Similarity NPC471789
0.9045 High Similarity NPC476619
0.9045 High Similarity NPC476621
0.9045 High Similarity NPC476622
0.9034 High Similarity NPC65333
0.9006 High Similarity NPC112380
0.9 High Similarity NPC132111
0.9 High Similarity NPC476203
0.8994 High Similarity NPC324742
0.8983 High Similarity NPC219600
0.8983 High Similarity NPC166674
0.8983 High Similarity NPC473550
0.8983 High Similarity NPC46640
0.8983 High Similarity NPC263119
0.8983 High Similarity NPC34436
0.8977 High Similarity NPC181778
0.8956 High Similarity NPC105591
0.895 High Similarity NPC318119
0.8939 High Similarity NPC472387
0.8927 High Similarity NPC271848
0.8927 High Similarity NPC100251
0.8927 High Similarity NPC81332
0.8927 High Similarity NPC262580
0.8927 High Similarity NPC289396
0.8927 High Similarity NPC212038
0.8919 High Similarity NPC476358
0.8914 High Similarity NPC175793
0.8901 High Similarity NPC221140
0.8901 High Similarity NPC473686
0.8901 High Similarity NPC475352
0.8901 High Similarity NPC229817
0.8901 High Similarity NPC241847
0.8901 High Similarity NPC475220
0.8895 High Similarity NPC321916
0.8883 High Similarity NPC470450
0.8883 High Similarity NPC472991
0.8883 High Similarity NPC79736
0.8883 High Similarity NPC67629
0.8883 High Similarity NPC472992
0.8876 High Similarity NPC98583
0.887 High Similarity NPC470272
0.8864 High Similarity NPC311389
0.8864 High Similarity NPC43918
0.8864 High Similarity NPC190204
0.8864 High Similarity NPC261411
0.8864 High Similarity NPC470271
0.8846 High Similarity NPC472722
0.884 High Similarity NPC164047
0.884 High Similarity NPC470453
0.884 High Similarity NPC470448
0.884 High Similarity NPC470452
0.8833 High Similarity NPC267549
0.882 High Similarity NPC47140
0.882 High Similarity NPC260263
0.882 High Similarity NPC67134
0.8814 High Similarity NPC198125
0.8814 High Similarity NPC149300
0.8814 High Similarity NPC95421
0.8798 High Similarity NPC87583
0.8791 High Similarity NPC97119
0.8791 High Similarity NPC135831
0.8791 High Similarity NPC473717
0.8791 High Similarity NPC473631
0.8791 High Similarity NPC297503
0.8791 High Similarity NPC150977
0.8791 High Similarity NPC475662
0.8791 High Similarity NPC293227
0.8785 High Similarity NPC84494
0.8785 High Similarity NPC245059
0.8785 High Similarity NPC212290
0.8785 High Similarity NPC471030
0.8778 High Similarity NPC255799
0.8771 High Similarity NPC239549
0.8771 High Similarity NPC236191
0.8771 High Similarity NPC88560
0.8771 High Similarity NPC175230
0.8771 High Similarity NPC172033
0.8771 High Similarity NPC51774
0.8764 High Similarity NPC149011
0.8764 High Similarity NPC34287
0.8764 High Similarity NPC47521
0.8764 High Similarity NPC471416
0.8764 High Similarity NPC204937
0.8757 High Similarity NPC217781
0.8757 High Similarity NPC473818
0.8757 High Similarity NPC31034
0.875 High Similarity NPC72554
0.875 High Similarity NPC30011
0.875 High Similarity NPC97817
0.875 High Similarity NPC475179
0.8743 High Similarity NPC470416
0.8736 High Similarity NPC469371
0.8722 High Similarity NPC470454
0.8722 High Similarity NPC102028
0.8722 High Similarity NPC142996
0.8722 High Similarity NPC199533
0.8715 High Similarity NPC5786
0.8715 High Similarity NPC156977
0.8715 High Similarity NPC267254
0.8715 High Similarity NPC102851
0.8715 High Similarity NPC259152
0.8715 High Similarity NPC3583
0.8715 High Similarity NPC472386
0.8715 High Similarity NPC38438
0.8715 High Similarity NPC301683
0.8708 High Similarity NPC112755
0.8708 High Similarity NPC170675
0.8708 High Similarity NPC471457
0.8708 High Similarity NPC183036
0.8703 High Similarity NPC205721
0.8701 High Similarity NPC142707
0.8701 High Similarity NPC317671
0.8701 High Similarity NPC26536
0.8701 High Similarity NPC49983
0.8701 High Similarity NPC272560
0.8696 High Similarity NPC473554
0.8696 High Similarity NPC104910
0.8696 High Similarity NPC474093
0.8696 High Similarity NPC470719
0.8696 High Similarity NPC295625
0.8693 High Similarity NPC67959
0.8689 High Similarity NPC36138
0.8689 High Similarity NPC470718
0.8681 High Similarity NPC299149
0.8681 High Similarity NPC277710
0.8681 High Similarity NPC153578
0.8681 High Similarity NPC473785
0.8681 High Similarity NPC114257
0.8674 High Similarity NPC473713
0.8674 High Similarity NPC268533
0.8667 High Similarity NPC163165
0.8667 High Similarity NPC472993
0.8667 High Similarity NPC25724
0.8667 High Similarity NPC168789
0.8659 High Similarity NPC224462
0.8659 High Similarity NPC21190
0.8659 High Similarity NPC474434
0.8659 High Similarity NPC124470
0.8659 High Similarity NPC44558
0.8659 High Similarity NPC183357
0.8659 High Similarity NPC52353
0.8659 High Similarity NPC476365
0.8659 High Similarity NPC109827
0.8659 High Similarity NPC218488

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477082 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
0.8641 High Similarity NPD8397 Clinical (unspecified phase)
0.8611 High Similarity NPD7993 Clinical (unspecified phase)
0.8603 High Similarity NPD5844 Phase 1
0.8571 High Similarity NPD8312 Approved
0.8571 High Similarity NPD8313 Approved
0.8556 High Similarity NPD7074 Phase 3
0.8516 High Similarity NPD4338 Clinical (unspecified phase)
0.8457 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8453 Intermediate Similarity NPD7472 Approved
0.8398 Intermediate Similarity NPD7054 Approved
0.8343 Intermediate Similarity NPD1465 Phase 2
0.8343 Intermediate Similarity NPD3818 Discontinued
0.8333 Intermediate Similarity NPD6166 Phase 2
0.8333 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8315 Intermediate Similarity NPD7808 Phase 3
0.8306 Intermediate Similarity NPD6797 Phase 2
0.8274 Intermediate Similarity NPD8151 Discontinued
0.8268 Intermediate Similarity NPD6959 Discontinued
0.8261 Intermediate Similarity NPD7251 Discontinued
0.8254 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8222 Intermediate Similarity NPD6232 Discontinued
0.8132 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.81 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.81 Intermediate Similarity NPD7783 Phase 2
0.8098 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8087 Intermediate Similarity NPD7473 Discontinued
0.8043 Intermediate Similarity NPD7228 Approved
0.8034 Intermediate Similarity NPD8455 Phase 2
0.8034 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8011 Intermediate Similarity NPD5494 Approved
0.7978 Intermediate Similarity NPD1934 Approved
0.7968 Intermediate Similarity NPD6559 Discontinued
0.7933 Intermediate Similarity NPD7819 Suspended
0.7933 Intermediate Similarity NPD2801 Approved
0.7865 Intermediate Similarity NPD4380 Phase 2
0.7845 Intermediate Similarity NPD7768 Phase 2
0.7821 Intermediate Similarity NPD7411 Suspended
0.7802 Intermediate Similarity NPD7075 Discontinued
0.7802 Intermediate Similarity NPD3749 Approved
0.779 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD6234 Discontinued
0.7753 Intermediate Similarity NPD1653 Approved
0.775 Intermediate Similarity NPD7435 Discontinued
0.7711 Intermediate Similarity NPD7871 Phase 2
0.7711 Intermediate Similarity NPD7870 Phase 2
0.7692 Intermediate Similarity NPD5402 Approved
0.7692 Intermediate Similarity NPD3817 Phase 2
0.7688 Intermediate Similarity NPD6776 Approved
0.7688 Intermediate Similarity NPD6782 Approved
0.7688 Intermediate Similarity NPD6781 Approved
0.7688 Intermediate Similarity NPD6778 Approved
0.7688 Intermediate Similarity NPD6777 Approved
0.7688 Intermediate Similarity NPD6779 Approved
0.7688 Intermediate Similarity NPD6780 Approved
0.7684 Intermediate Similarity NPD7240 Approved
0.768 Intermediate Similarity NPD37 Approved
0.7676 Intermediate Similarity NPD7199 Phase 2
0.7662 Intermediate Similarity NPD7696 Phase 3
0.7662 Intermediate Similarity NPD7698 Approved
0.7662 Intermediate Similarity NPD7697 Approved
0.766 Intermediate Similarity NPD3751 Discontinued
0.765 Intermediate Similarity NPD4967 Phase 2
0.765 Intermediate Similarity NPD3882 Suspended
0.765 Intermediate Similarity NPD4965 Approved
0.765 Intermediate Similarity NPD4966 Approved
0.7637 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD3787 Discontinued
0.7617 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD7874 Approved
0.761 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD7701 Phase 2
0.7582 Intermediate Similarity NPD6801 Discontinued
0.7528 Intermediate Similarity NPD1511 Approved
0.75 Intermediate Similarity NPD7685 Pre-registration
0.75 Intermediate Similarity NPD7699 Phase 2
0.75 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7700 Phase 2
0.7451 Intermediate Similarity NPD8319 Approved
0.7451 Intermediate Similarity NPD8320 Phase 1
0.7444 Intermediate Similarity NPD1512 Approved
0.7438 Intermediate Similarity NPD6823 Phase 2
0.7437 Intermediate Similarity NPD6534 Approved
0.7437 Intermediate Similarity NPD6535 Approved
0.743 Intermediate Similarity NPD7390 Discontinued
0.7418 Intermediate Similarity NPD3226 Approved
0.7418 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7404 Intermediate Similarity NPD7801 Approved
0.7403 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7398 Intermediate Similarity NPD8150 Discontinued
0.7389 Intermediate Similarity NPD2534 Approved
0.7389 Intermediate Similarity NPD2533 Approved
0.7389 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD2532 Approved
0.7345 Intermediate Similarity NPD1549 Phase 2
0.7322 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7680 Approved
0.7308 Intermediate Similarity NPD5403 Approved
0.7302 Intermediate Similarity NPD1247 Approved
0.7293 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7291 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD919 Approved
0.7263 Intermediate Similarity NPD3750 Approved
0.7247 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD6799 Approved
0.7232 Intermediate Similarity NPD2935 Discontinued
0.7222 Intermediate Similarity NPD8434 Phase 2
0.7222 Intermediate Similarity NPD6190 Approved
0.7214 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD6212 Phase 3
0.7214 Intermediate Similarity NPD6213 Phase 3
0.7207 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7198 Intermediate Similarity NPD5401 Approved
0.7189 Intermediate Similarity NPD6599 Discontinued
0.7171 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7458 Discontinued
0.7135 Intermediate Similarity NPD5408 Approved
0.7135 Intermediate Similarity NPD5406 Approved
0.7135 Intermediate Similarity NPD5404 Approved
0.7135 Intermediate Similarity NPD5405 Approved
0.7135 Intermediate Similarity NPD3926 Phase 2
0.712 Intermediate Similarity NPD8127 Discontinued
0.7108 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD230 Phase 1
0.7095 Intermediate Similarity NPD7266 Discontinued
0.7079 Intermediate Similarity NPD1510 Phase 2
0.7072 Intermediate Similarity NPD4628 Phase 3
0.7045 Intermediate Similarity NPD1613 Approved
0.7045 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD2796 Approved
0.7027 Intermediate Similarity NPD920 Approved
0.7017 Intermediate Similarity NPD6674 Discontinued
0.7011 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD447 Suspended
0.7 Intermediate Similarity NPD2346 Discontinued
0.6995 Remote Similarity NPD7229 Phase 3
0.6995 Remote Similarity NPD5710 Approved
0.6995 Remote Similarity NPD5711 Approved
0.6983 Remote Similarity NPD3748 Approved
0.698 Remote Similarity NPD4287 Approved
0.6978 Remote Similarity NPD7003 Approved
0.6967 Remote Similarity NPD7584 Approved
0.6955 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6949 Remote Similarity NPD943 Approved
0.6944 Remote Similarity NPD1551 Phase 2
0.6939 Remote Similarity NPD7177 Discontinued
0.6937 Remote Similarity NPD8059 Phase 3
0.6937 Remote Similarity NPD8058 Clinical (unspecified phase)
0.6935 Remote Similarity NPD7549 Discontinued
0.6934 Remote Similarity NPD7585 Approved
0.6923 Remote Similarity NPD1243 Approved
0.6919 Remote Similarity NPD5953 Discontinued
0.6919 Remote Similarity NPD7211 Clinical (unspecified phase)
0.691 Remote Similarity NPD1933 Approved
0.6902 Remote Similarity NPD643 Clinical (unspecified phase)
0.6898 Remote Similarity NPD7930 Approved
0.6889 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7583 Approved
0.6885 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6882 Remote Similarity NPD6273 Approved
0.6875 Remote Similarity NPD8285 Discontinued
0.6866 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6857 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6854 Remote Similarity NPD1240 Approved
0.6831 Remote Similarity NPD2800 Approved
0.6818 Remote Similarity NPD7286 Phase 2
0.6818 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6796 Remote Similarity NPD2799 Discontinued
0.6796 Remote Similarity NPD651 Clinical (unspecified phase)
0.6793 Remote Similarity NPD8166 Discontinued
0.6793 Remote Similarity NPD6398 Clinical (unspecified phase)
0.678 Remote Similarity NPD3027 Phase 3
0.6778 Remote Similarity NPD1607 Approved
0.6742 Remote Similarity NPD2313 Discontinued
0.6742 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6742 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6701 Remote Similarity NPD5242 Approved
0.6698 Remote Similarity NPD5006 Approved
0.6698 Remote Similarity NPD5005 Approved
0.6695 Remote Similarity NPD8153 Approved
0.6695 Remote Similarity NPD8152 Approved
0.6684 Remote Similarity NPD5353 Approved
0.6648 Remote Similarity NPD7097 Phase 1
0.6648 Remote Similarity NPD3764 Approved
0.6648 Remote Similarity NPD1203 Approved
0.6637 Remote Similarity NPD7907 Approved
0.6634 Remote Similarity NPD7038 Approved
0.6634 Remote Similarity NPD7039 Approved
0.663 Remote Similarity NPD5124 Phase 1
0.663 Remote Similarity NPD5123 Clinical (unspecified phase)
0.663 Remote Similarity NPD2344 Approved
0.6629 Remote Similarity NPD4908 Phase 1
0.6629 Remote Similarity NPD6832 Phase 2
0.6622 Remote Similarity NPD4111 Phase 1

Structure

External Identifiers

PubChem CID   70693253
ChEMBL   CHEMBL2087577
ZINC  

Physicochemical Properties

Molecular Weight:  1086.08
ALogP:  -8.2774
MLogP:  3.44
XLogP:  -0.823
# Rotatable Bonds:  24
Polar Surface Area:  499.94
# H-Bond Aceptor:  12
# H-Bond Donor:  16
# Rings:  10
# Heavy Atoms:  78

Download Data

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