Natural Product: NPC321916

Natural Product ID:  NPC321916
Common Name:   Diinsinin
IUPAC Name:  
Synonyms:   diinsinin
Molecular Formula:   C36H32O15
Standard InCHIKey:  FTKAVFCYTQUGTN-BNDLDUQUSA-N
Standard InCHI:  InChI=1S/C36H32O15/c37-13-27-31(44)32(45)33(46)35(49-27)47-17-8-21(41)28-18-12-36(50-25(28)9-17,15-3-6-19(39)20(40)7-15)51-26-11-23(43)30-22(42)10-24(48-34(30)29(18)26)14-1-4-16(38)5-2-14/h1-9,11,18,24,27,31-33,35,37-41,43-46H,10,12-13H2/t18-,24-,27-,31-,32+,33-,35-,36-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@]2(C[C@H]3c3c(O2)cc(c2c3O[C@H](CC2=O)c2ccc(cc2)O)O)c2ccc(c(c2)O)O)[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
NPO30500 Sarcophyte piriei Species Balanophoraceae Eukaryota PMID[8786365]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 13140 nM 8786365
NPT2 Others Unspecified IC50 = 39000 nM 8786365

  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 NPC321916 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
0.994 High Similarity NPC318119
0.9647 High Similarity NPC132111
0.9524 High Similarity NPC168789
0.948 High Similarity NPC179947
0.9425 High Similarity NPC473618
0.9368 High Similarity NPC64755
0.9345 High Similarity NPC105283
0.9345 High Similarity NPC43587
0.9318 High Similarity NPC264302
0.9298 High Similarity NPC255799
0.9294 High Similarity NPC25724
0.9294 High Similarity NPC208668
0.929 High Similarity NPC218488
0.929 High Similarity NPC44328
0.929 High Similarity NPC150767
0.929 High Similarity NPC79056
0.929 High Similarity NPC105095
0.929 High Similarity NPC177731
0.929 High Similarity NPC78734
0.924 High Similarity NPC198199
0.9235 High Similarity NPC257667
0.9235 High Similarity NPC186847
0.9235 High Similarity NPC180918
0.9235 High Similarity NPC47140
0.9235 High Similarity NPC472454
0.9235 High Similarity NPC256760
0.9235 High Similarity NPC67134
0.9231 High Similarity NPC293629
0.9226 High Similarity NPC224851
0.9222 High Similarity NPC29830
0.9191 High Similarity NPC471030
0.9172 High Similarity NPC477502
0.9148 High Similarity NPC97817
0.9148 High Similarity NPC65489
0.9148 High Similarity NPC72554
0.9148 High Similarity NPC30011
0.9143 High Similarity NPC49690
0.9143 High Similarity NPC231254
0.9138 High Similarity NPC469371
0.9133 High Similarity NPC471789
0.9133 High Similarity NPC120952
0.9128 High Similarity NPC294629
0.9123 High Similarity NPC301683
0.9118 High Similarity NPC209296
0.9118 High Similarity NPC195257
0.9118 High Similarity NPC475212
0.9118 High Similarity NPC86008
0.9112 High Similarity NPC8856
0.9112 High Similarity NPC171985
0.9112 High Similarity NPC210073
0.9112 High Similarity NPC115674
0.9112 High Similarity NPC320741
0.9112 High Similarity NPC236934
0.9112 High Similarity NPC5778
0.9091 High Similarity NPC475220
0.9091 High Similarity NPC473686
0.9091 High Similarity NPC221140
0.9091 High Similarity NPC475352
0.9091 High Similarity NPC33083
0.9091 High Similarity NPC229817
0.9086 High Similarity NPC473717
0.9086 High Similarity NPC473631
0.9086 High Similarity NPC475662
0.9086 High Similarity NPC293227
0.908 High Similarity NPC192539
0.9075 High Similarity NPC202908
0.9075 High Similarity NPC219043
0.9075 High Similarity NPC14187
0.9075 High Similarity NPC122467
0.9075 High Similarity NPC292019
0.907 High Similarity NPC239549
0.907 High Similarity NPC51774
0.907 High Similarity NPC236191
0.9064 High Similarity NPC51326
0.9064 High Similarity NPC231194
0.9059 High Similarity NPC45400
0.9059 High Similarity NPC92565
0.9059 High Similarity NPC160156
0.9053 High Similarity NPC477840
0.9048 High Similarity NPC127782
0.9048 High Similarity NPC300537
0.9048 High Similarity NPC477841
0.9048 High Similarity NPC189142
0.9048 High Similarity NPC190450
0.9048 High Similarity NPC77660
0.904 High Similarity NPC105591
0.9034 High Similarity NPC223860
0.9034 High Similarity NPC249560
0.9034 High Similarity NPC275977
0.9023 High Similarity NPC267549
0.9023 High Similarity NPC476620
0.9023 High Similarity NPC476618
0.9023 High Similarity NPC265380
0.9023 High Similarity NPC476622
0.9023 High Similarity NPC251417
0.9023 High Similarity NPC476623
0.9023 High Similarity NPC476619
0.9023 High Similarity NPC476621
0.9023 High Similarity NPC89052
0.9017 High Similarity NPC102028
0.9017 High Similarity NPC142996
0.9017 High Similarity NPC108202
0.9012 High Similarity NPC267254
0.9012 High Similarity NPC261254
0.9006 High Similarity NPC270578
0.9006 High Similarity NPC471457
0.9006 High Similarity NPC52382
0.9006 High Similarity NPC229687
0.9006 High Similarity NPC170675
0.9006 High Similarity NPC107627
0.9006 High Similarity NPC61791
0.9006 High Similarity NPC112755
0.9 High Similarity NPC70441
0.8994 High Similarity NPC191306
0.8994 High Similarity NPC19709
0.8994 High Similarity NPC168822
0.8994 High Similarity NPC270335
0.8994 High Similarity NPC124155
0.8994 High Similarity NPC257566
0.8988 High Similarity NPC47923
0.8988 High Similarity NPC142252
0.8983 High Similarity NPC474093
0.8983 High Similarity NPC104910
0.8983 High Similarity NPC87583
0.8983 High Similarity NPC470719
0.8983 High Similarity NPC295625
0.8983 High Similarity NPC473554
0.8982 High Similarity NPC308265
0.8977 High Similarity NPC297503
0.8977 High Similarity NPC473883
0.8977 High Similarity NPC470718
0.8977 High Similarity NPC156785
0.8977 High Similarity NPC135831
0.8977 High Similarity NPC97119
0.8977 High Similarity NPC162394
0.8977 High Similarity NPC476203
0.8977 High Similarity NPC241781
0.8971 High Similarity NPC324742
0.8971 High Similarity NPC185275
0.8966 High Similarity NPC48984
0.8966 High Similarity NPC67629
0.8966 High Similarity NPC79736
0.896 High Similarity NPC98583
0.896 High Similarity NPC88560
0.896 High Similarity NPC472993
0.896 High Similarity NPC172033
0.896 High Similarity NPC175230
0.896 High Similarity NPC204693
0.8953 High Similarity NPC21190
0.8953 High Similarity NPC156869
0.8953 High Similarity NPC67105
0.8953 High Similarity NPC76047
0.8953 High Similarity NPC95866
0.8953 High Similarity NPC293004
0.8953 High Similarity NPC22195
0.8953 High Similarity NPC34287
0.8953 High Similarity NPC29958
0.8953 High Similarity NPC259896
0.8953 High Similarity NPC136042
0.8953 High Similarity NPC285197
0.8953 High Similarity NPC149011
0.8953 High Similarity NPC471416
0.8953 High Similarity NPC183357
0.8953 High Similarity NPC204937
0.8953 High Similarity NPC254855
0.8953 High Similarity NPC255157
0.8953 High Similarity NPC476365
0.8953 High Similarity NPC67326
0.8947 High Similarity NPC275454
0.8947 High Similarity NPC229729
0.8941 High Similarity NPC475366
0.8941 High Similarity NPC284277
0.8941 High Similarity NPC475497
0.8941 High Similarity NPC22832
0.8941 High Similarity NPC165720
0.8941 High Similarity NPC311830
0.8941 High Similarity NPC277205
0.8939 High Similarity NPC31208
0.8939 High Similarity NPC472724
0.8939 High Similarity NPC187632
0.8939 High Similarity NPC472720
0.8939 High Similarity NPC160543
0.8939 High Similarity NPC472721
0.8939 High Similarity NPC469652
0.8939 High Similarity NPC93065
0.8935 High Similarity NPC44947
0.8935 High Similarity NPC473043
0.8935 High Similarity NPC219927
0.8933 High Similarity NPC475179
0.8929 High Similarity NPC142860
0.8929 High Similarity NPC246469
0.8929 High Similarity NPC271479
0.8929 High Similarity NPC97285
0.8929 High Similarity NPC472320
0.8929 High Similarity NPC271270
0.8927 High Similarity NPC460984
0.8927 High Similarity NPC75574
0.8927 High Similarity NPC148710
0.8927 High Similarity NPC470717
0.8927 High Similarity NPC470713

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC321916 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
0.929 High Similarity NPD7074 Phase 3
0.9118 High Similarity NPD7054 Approved
0.9064 High Similarity NPD7472 Approved
0.896 High Similarity NPD7251 Discontinued
0.8908 High Similarity NPD7808 Phase 3
0.8902 High Similarity NPD6797 Phase 2
0.8895 High Similarity NPD7804 Clinical (unspecified phase)
0.883 High Similarity NPD6168 Clinical (unspecified phase)
0.883 High Similarity NPD6167 Clinical (unspecified phase)
0.883 High Similarity NPD6166 Phase 2
0.8728 High Similarity NPD3818 Discontinued
0.8698 High Similarity NPD4381 Clinical (unspecified phase)
0.8644 High Similarity NPD8313 Approved
0.8644 High Similarity NPD8312 Approved
0.8631 High Similarity NPD2393 Clinical (unspecified phase)
0.8588 High Similarity NPD4338 Clinical (unspecified phase)
0.858 High Similarity NPD7993 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD1934 Approved
0.8439 Intermediate Similarity NPD6959 Discontinued
0.8421 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8343 Intermediate Similarity NPD4380 Phase 2
0.8324 Intermediate Similarity NPD6559 Discontinued
0.8304 Intermediate Similarity NPD8455 Phase 2
0.8216 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8207 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.8192 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD5494 Approved
0.8161 Intermediate Similarity NPD7075 Discontinued
0.8146 Intermediate Similarity NPD7473 Discontinued
0.8101 Intermediate Similarity NPD7228 Approved
0.8095 Intermediate Similarity NPD1511 Approved
0.8092 Intermediate Similarity NPD2801 Approved
0.8092 Intermediate Similarity NPD7819 Suspended
0.8056 Intermediate Similarity NPD5844 Phase 1
0.8051 Intermediate Similarity NPD8151 Discontinued
0.8 Intermediate Similarity NPD7768 Phase 2
0.8 Intermediate Similarity NPD1512 Approved
0.7989 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD6232 Discontinued
0.7977 Intermediate Similarity NPD7411 Suspended
0.797 Intermediate Similarity NPD7783 Phase 2
0.797 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7943 Intermediate Similarity NPD3817 Phase 2
0.7898 Intermediate Similarity NPD3882 Suspended
0.7844 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7844 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD6801 Discontinued
0.7821 Intermediate Similarity NPD7199 Phase 2
0.7798 Intermediate Similarity NPD1549 Phase 2
0.7795 Intermediate Similarity NPD7697 Approved
0.7795 Intermediate Similarity NPD7698 Approved
0.7795 Intermediate Similarity NPD7696 Phase 3
0.7784 Intermediate Similarity NPD1465 Phase 2
0.7778 Intermediate Similarity NPD3787 Discontinued
0.7755 Intermediate Similarity NPD7871 Phase 2
0.7755 Intermediate Similarity NPD7870 Phase 2
0.7754 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7732 Intermediate Similarity NPD6777 Approved
0.7732 Intermediate Similarity NPD6779 Approved
0.7732 Intermediate Similarity NPD6776 Approved
0.7732 Intermediate Similarity NPD6778 Approved
0.7732 Intermediate Similarity NPD6780 Approved
0.7732 Intermediate Similarity NPD6782 Approved
0.7732 Intermediate Similarity NPD6781 Approved
0.773 Intermediate Similarity NPD7685 Pre-registration
0.7727 Intermediate Similarity NPD7701 Phase 2
0.7709 Intermediate Similarity NPD6234 Discontinued
0.7705 Intermediate Similarity NPD3751 Discontinued
0.7704 Intermediate Similarity NPD7435 Discontinued
0.7665 Intermediate Similarity NPD8320 Phase 1
0.7665 Intermediate Similarity NPD8319 Approved
0.7644 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.764 Intermediate Similarity NPD5402 Approved
0.7637 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7634 Intermediate Similarity NPD7240 Approved
0.7629 Intermediate Similarity NPD7700 Phase 2
0.7629 Intermediate Similarity NPD7699 Phase 2
0.7627 Intermediate Similarity NPD37 Approved
0.7612 Intermediate Similarity NPD7801 Approved
0.76 Intermediate Similarity NPD1653 Approved
0.7598 Intermediate Similarity NPD4966 Approved
0.7598 Intermediate Similarity NPD4965 Approved
0.7598 Intermediate Similarity NPD4967 Phase 2
0.7563 Intermediate Similarity NPD6823 Phase 2
0.7562 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD7874 Approved
0.7557 Intermediate Similarity NPD7458 Discontinued
0.7556 Intermediate Similarity NPD3749 Approved
0.7543 Intermediate Similarity NPD5403 Approved
0.7515 Intermediate Similarity NPD1510 Phase 2
0.75 Intermediate Similarity NPD7584 Approved
0.7485 Intermediate Similarity NPD1613 Approved
0.7485 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD6535 Approved
0.7474 Intermediate Similarity NPD6534 Approved
0.7471 Intermediate Similarity NPD6799 Approved
0.7471 Intermediate Similarity NPD2796 Approved
0.7471 Intermediate Similarity NPD7390 Discontinued
0.7437 Intermediate Similarity NPD7680 Approved
0.7435 Intermediate Similarity NPD8150 Discontinued
0.7429 Intermediate Similarity NPD5401 Approved
0.7427 Intermediate Similarity NPD7266 Discontinued
0.7416 Intermediate Similarity NPD6599 Discontinued
0.7398 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7371 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7341 Intermediate Similarity NPD6674 Discontinued
0.7341 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7323 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD3750 Approved
0.7286 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD943 Approved
0.7278 Intermediate Similarity NPD1240 Approved
0.7263 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD3926 Phase 2
0.7246 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD6213 Phase 3
0.7245 Intermediate Similarity NPD6212 Phase 3
0.7232 Intermediate Similarity NPD2532 Approved
0.7232 Intermediate Similarity NPD2534 Approved
0.7232 Intermediate Similarity NPD2533 Approved
0.7228 Intermediate Similarity NPD919 Approved
0.72 Intermediate Similarity NPD4628 Phase 3
0.72 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD1607 Approved
0.7186 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD2935 Discontinued
0.7167 Intermediate Similarity NPD3226 Approved
0.7165 Intermediate Similarity NPD8434 Phase 2
0.7159 Intermediate Similarity NPD6190 Approved
0.7151 Intermediate Similarity NPD8127 Discontinued
0.7151 Intermediate Similarity NPD1247 Approved
0.7143 Intermediate Similarity NPD2800 Approved
0.7143 Intermediate Similarity NPD4908 Phase 1
0.7135 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD7585 Approved
0.7121 Intermediate Similarity NPD4360 Phase 2
0.7121 Intermediate Similarity NPD4363 Phase 3
0.7102 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD3027 Phase 3
0.7093 Intermediate Similarity NPD6651 Approved
0.7081 Intermediate Similarity NPD7930 Approved
0.7073 Intermediate Similarity NPD7583 Approved
0.7069 Intermediate Similarity NPD6100 Approved
0.7069 Intermediate Similarity NPD1551 Phase 2
0.7069 Intermediate Similarity NPD6099 Approved
0.7059 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD8059 Phase 3
0.7037 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD230 Phase 1
0.7035 Intermediate Similarity NPD1933 Approved
0.7031 Intermediate Similarity NPD5953 Discontinued
0.7021 Intermediate Similarity NPD7229 Phase 3
0.7016 Intermediate Similarity NPD7286 Phase 2
0.7011 Intermediate Similarity NPD2799 Discontinued
0.7011 Intermediate Similarity NPD3748 Approved
0.7006 Intermediate Similarity NPD8166 Discontinued
0.7006 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.6971 Remote Similarity NPD5408 Approved
0.6971 Remote Similarity NPD5406 Approved
0.6971 Remote Similarity NPD5404 Approved
0.6971 Remote Similarity NPD5405 Approved
0.6961 Remote Similarity NPD920 Approved
0.6954 Remote Similarity NPD7097 Phase 1
0.6944 Remote Similarity NPD642 Clinical (unspecified phase)
0.6942 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6932 Remote Similarity NPD2346 Discontinued
0.6927 Remote Similarity NPD643 Clinical (unspecified phase)
0.6914 Remote Similarity NPD651 Clinical (unspecified phase)
0.6914 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6902 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6898 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6888 Remote Similarity NPD7090 Clinical (unspecified phase)
0.686 Remote Similarity NPD2313 Discontinued
0.6854 Remote Similarity NPD1243 Approved
0.6842 Remote Similarity NPD5710 Approved
0.6842 Remote Similarity NPD5711 Approved
0.6839 Remote Similarity NPD5124 Phase 1
0.6839 Remote Similarity NPD447 Suspended
0.6839 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6836 Remote Similarity NPD2344 Approved
0.6826 Remote Similarity NPD1091 Approved
0.6826 Remote Similarity NPD1610 Phase 2
0.6824 Remote Similarity NPD2798 Approved
0.6816 Remote Similarity NPD7003 Approved
0.6813 Remote Similarity NPD6273 Approved
0.6788 Remote Similarity NPD7177 Discontinued
0.6786 Remote Similarity NPD7549 Discontinued
0.6763 Remote Similarity NPD6798 Discontinued
0.675 Remote Similarity NPD4287 Approved
0.6749 Remote Similarity NPD4361 Phase 2
0.6749 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6744 Remote Similarity NPD6832 Phase 2

Structure

External Identifiers

PubChem CID   10676233
ChEMBL   CHEMBL447954
ZINC  

Physicochemical Properties

Molecular Weight:  704.17
ALogP:  -5.1057
MLogP:  3.77
XLogP:  1.018
# Rotatable Bonds:  14
Polar Surface Area:  245.29
# H-Bond Aceptor:  6
# H-Bond Donor:  9
# Rings:  8
# Heavy Atoms:  51

Download Data

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