Natural Product: NPC469512

Natural Product ID:  NPC469512
Common Name:   Arisanschinin H
IUPAC Name:  
Synonyms:   Arisanschinin H
Molecular Formula:   C27H32O8
Standard InCHIKey:  KBYDHOPBQPIANF-OQJDONTRSA-N
Standard InCHI:  InChI=1S/C27H32O8/c1-8-13(2)22(28)21-16-11-18-25(35-12-34-18)26(33-7)20(16)19-15(9-14(3)27(21,4)30)10-17(31-5)24(32-6)23(19)29/h8,10-11,14,21,29-30H,9,12H2,1-7H3/b13-8-/t14-,21+,27-/m0/s1
Canonical SMILES:  C/C=C(C(=O)[C@H]1c2cc3OCOc3c(c2c2c(C[C@@H]([C@]1(C)O)C)cc(c(c2O)OC)OC)OC)/C
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
NPO8584 Schisandra arisanensis Species Schisandraceae Eukaryota fruits PMID[19673515]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT927 Cell Line PBMC Homo sapiens Inhibition = 12.7 % 14584959
NPT927 Cell Line PBMC Homo sapiens Inhibition = 16.4 % 20227875
NPT927 Cell Line PBMC Homo sapiens Inhibition = 14.6 % Open TG-GATES in vivo data: Hematology

  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 NPC469512 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
0.9679 High Similarity NPC469475
0.9679 High Similarity NPC469518
0.9321 High Similarity NPC469506
0.9295 High Similarity NPC469474
0.9202 High Similarity NPC178737
0.9141 High Similarity NPC477883
0.9085 High Similarity NPC471181
0.9068 High Similarity NPC475865
0.9051 High Similarity NPC477380
0.9038 High Similarity NPC272566
0.9038 High Similarity NPC220577
0.903 High Similarity NPC477881
0.8994 High Similarity NPC477885
0.8994 High Similarity NPC475592
0.8987 High Similarity NPC238834
0.8987 High Similarity NPC476065
0.8963 High Similarity NPC88557
0.8903 High Similarity NPC304821
0.8902 High Similarity NPC471180
0.8902 High Similarity NPC311912
0.8896 High Similarity NPC475738
0.8869 High Similarity NPC477882
0.8869 High Similarity NPC477880
0.8861 High Similarity NPC53669
0.8861 High Similarity NPC126405
0.8861 High Similarity NPC16791
0.8861 High Similarity NPC77237
0.8861 High Similarity NPC217708
0.8861 High Similarity NPC297271
0.8861 High Similarity NPC474606
0.8861 High Similarity NPC308739
0.8854 High Similarity NPC234152
0.8841 High Similarity NPC320471
0.8841 High Similarity NPC83049
0.8841 High Similarity NPC118162
0.882 High Similarity NPC325122
0.8797 High Similarity NPC471154
0.8774 High Similarity NPC87295
0.8773 High Similarity NPC61141
0.8773 High Similarity NPC76687
0.8765 High Similarity NPC474770
0.8758 High Similarity NPC133934
0.8758 High Similarity NPC474990
0.8758 High Similarity NPC184641
0.8758 High Similarity NPC184684
0.8742 High Similarity NPC474514
0.8742 High Similarity NPC24562
0.8734 High Similarity NPC224472
0.8734 High Similarity NPC475756
0.8712 High Similarity NPC295009
0.8712 High Similarity NPC260640
0.8704 High Similarity NPC230531
0.8704 High Similarity NPC215400
0.8688 High Similarity NPC198461
0.8688 High Similarity NPC287504
0.8683 High Similarity NPC212748
0.8675 High Similarity NPC79322
0.8671 High Similarity NPC470916
0.8667 High Similarity NPC477884
0.8667 High Similarity NPC39306
0.8659 High Similarity NPC42797
0.865 High Similarity NPC285973
0.865 High Similarity NPC225624
0.8645 High Similarity NPC73467
0.8645 High Similarity NPC121661
0.8642 High Similarity NPC167595
0.8642 High Similarity NPC472963
0.8631 High Similarity NPC235575
0.8631 High Similarity NPC261254
0.8625 High Similarity NPC35544
0.8625 High Similarity NPC104728
0.8608 High Similarity NPC474347
0.8608 High Similarity NPC474393
0.8606 High Similarity NPC291977
0.8606 High Similarity NPC133065
0.8599 High Similarity NPC88345
0.8598 High Similarity NPC94155
0.859 High Similarity NPC189239
0.859 High Similarity NPC197352
0.859 High Similarity NPC110763
0.859 High Similarity NPC166506
0.8589 High Similarity NPC215375
0.8589 High Similarity NPC62518
0.858 High Similarity NPC472907
0.858 High Similarity NPC473323
0.8571 High Similarity NPC312763
0.8571 High Similarity NPC348849
0.8571 High Similarity NPC25127
0.8571 High Similarity NPC178195
0.8562 High Similarity NPC104353
0.8562 High Similarity NPC53722
0.8562 High Similarity NPC201404
0.8562 High Similarity NPC477699
0.8562 High Similarity NPC290714
0.8553 High Similarity NPC177830
0.8553 High Similarity NPC316989
0.8547 High Similarity NPC170203
0.8545 High Similarity NPC472964
0.8545 High Similarity NPC469575
0.8545 High Similarity NPC473445
0.8544 High Similarity NPC198129
0.8544 High Similarity NPC477375
0.8544 High Similarity NPC252281
0.8544 High Similarity NPC327352
0.8535 High Similarity NPC296575
0.8535 High Similarity NPC252286
0.8535 High Similarity NPC154971
0.8535 High Similarity NPC472560
0.8526 High Similarity NPC16353
0.8519 High Similarity NPC79998
0.8519 High Similarity NPC38898
0.85 High Similarity NPC85131
0.85 High Similarity NPC472279
0.85 High Similarity NPC32079
0.85 High Similarity NPC477700
0.8494 Intermediate Similarity NPC475985
0.8491 Intermediate Similarity NPC477374
0.8491 Intermediate Similarity NPC322426
0.8491 Intermediate Similarity NPC474903
0.8491 Intermediate Similarity NPC477376
0.8485 Intermediate Similarity NPC162668
0.8485 Intermediate Similarity NPC319749
0.8481 Intermediate Similarity NPC295297
0.8481 Intermediate Similarity NPC138978
0.848 Intermediate Similarity NPC257714
0.8476 Intermediate Similarity NPC476242
0.8471 Intermediate Similarity NPC207732
0.8466 Intermediate Similarity NPC54928
0.8466 Intermediate Similarity NPC29727
0.8466 Intermediate Similarity NPC150227
0.8462 Intermediate Similarity NPC324962
0.8457 Intermediate Similarity NPC136757
0.8457 Intermediate Similarity NPC57211
0.8457 Intermediate Similarity NPC250557
0.8457 Intermediate Similarity NPC473425
0.8457 Intermediate Similarity NPC472905
0.8452 Intermediate Similarity NPC229729
0.8452 Intermediate Similarity NPC126204
0.8452 Intermediate Similarity NPC76482
0.8447 Intermediate Similarity NPC78505
0.8447 Intermediate Similarity NPC151425
0.8443 Intermediate Similarity NPC165720
0.8438 Intermediate Similarity NPC102003
0.8438 Intermediate Similarity NPC92722
0.8434 Intermediate Similarity NPC280778
0.8434 Intermediate Similarity NPC312056
0.8434 Intermediate Similarity NPC300537
0.8434 Intermediate Similarity NPC127782
0.8434 Intermediate Similarity NPC84515
0.8431 Intermediate Similarity NPC471182
0.843 Intermediate Similarity NPC241196
0.8428 Intermediate Similarity NPC316676
0.8428 Intermediate Similarity NPC325720
0.8424 Intermediate Similarity NPC269906
0.8424 Intermediate Similarity NPC472902
0.8424 Intermediate Similarity NPC474960
0.8418 Intermediate Similarity NPC224687
0.8418 Intermediate Similarity NPC321696
0.8418 Intermediate Similarity NPC321958
0.8418 Intermediate Similarity NPC157133
0.8415 Intermediate Similarity NPC199463
0.8415 Intermediate Similarity NPC190020
0.8415 Intermediate Similarity NPC299520
0.8415 Intermediate Similarity NPC77679
0.8415 Intermediate Similarity NPC37543
0.8415 Intermediate Similarity NPC163527
0.8415 Intermediate Similarity NPC115281
0.8415 Intermediate Similarity NPC84935
0.8415 Intermediate Similarity NPC181168
0.8415 Intermediate Similarity NPC241904
0.8415 Intermediate Similarity NPC300727
0.8415 Intermediate Similarity NPC129684
0.8412 Intermediate Similarity NPC475825
0.8412 Intermediate Similarity NPC260263
0.8412 Intermediate Similarity NPC223375
0.8408 Intermediate Similarity NPC46880
0.8408 Intermediate Similarity NPC254659
0.8408 Intermediate Similarity NPC471417
0.8408 Intermediate Similarity NPC119663
0.8405 Intermediate Similarity NPC18954
0.8405 Intermediate Similarity NPC199926
0.8402 Intermediate Similarity NPC476771
0.8402 Intermediate Similarity NPC117911
0.8402 Intermediate Similarity NPC229687
0.8402 Intermediate Similarity NPC473202
0.8402 Intermediate Similarity NPC211309
0.8397 Intermediate Similarity NPC36531
0.8397 Intermediate Similarity NPC229172
0.8397 Intermediate Similarity NPC110419
0.8397 Intermediate Similarity NPC103637
0.8397 Intermediate Similarity NPC230538
0.8395 Intermediate Similarity NPC474993
0.8395 Intermediate Similarity NPC52623
0.8395 Intermediate Similarity NPC149735
0.8393 Intermediate Similarity NPC170245
0.8393 Intermediate Similarity NPC235610
0.8393 Intermediate Similarity NPC113093
0.8393 Intermediate Similarity NPC5778
0.8393 Intermediate Similarity NPC254306
0.8393 Intermediate Similarity NPC236934

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469512 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
0.8563 High Similarity NPD3818 Discontinued
0.8393 Intermediate Similarity NPD7473 Discontinued
0.8364 Intermediate Similarity NPD6234 Discontinued
0.8353 Intermediate Similarity NPD7074 Phase 3
0.8294 Intermediate Similarity NPD7054 Approved
0.8282 Intermediate Similarity NPD37 Approved
0.8246 Intermediate Similarity NPD7472 Approved
0.8242 Intermediate Similarity NPD3882 Suspended
0.8214 Intermediate Similarity NPD6232 Discontinued
0.8199 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD1934 Approved
0.8155 Intermediate Similarity NPD7199 Phase 2
0.8133 Intermediate Similarity NPD4967 Phase 2
0.8133 Intermediate Similarity NPD4965 Approved
0.8133 Intermediate Similarity NPD4966 Approved
0.8129 Intermediate Similarity NPD7228 Approved
0.8121 Intermediate Similarity NPD2801 Approved
0.8068 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8059 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8046 Intermediate Similarity NPD7251 Discontinued
0.8012 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD1465 Phase 2
0.8 Intermediate Similarity NPD7808 Phase 3
0.7989 Intermediate Similarity NPD6797 Phase 2
0.7976 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7907 Intermediate Similarity NPD6166 Phase 2
0.7901 Intermediate Similarity NPD1511 Approved
0.7901 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD3817 Phase 2
0.7841 Intermediate Similarity NPD6559 Discontinued
0.7812 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD1512 Approved
0.7798 Intermediate Similarity NPD7819 Suspended
0.7778 Intermediate Similarity NPD5494 Approved
0.7735 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD4380 Phase 2
0.7707 Intermediate Similarity NPD1240 Approved
0.767 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.767 Intermediate Similarity NPD5844 Phase 1
0.7661 Intermediate Similarity NPD7075 Discontinued
0.7644 Intermediate Similarity NPD3926 Phase 2
0.764 Intermediate Similarity NPD7685 Pre-registration
0.764 Intermediate Similarity NPD7240 Approved
0.7636 Intermediate Similarity NPD2533 Approved
0.7636 Intermediate Similarity NPD2534 Approved
0.7636 Intermediate Similarity NPD2532 Approved
0.7625 Intermediate Similarity NPD1510 Phase 2
0.7614 Intermediate Similarity NPD3751 Discontinued
0.761 Intermediate Similarity NPD1607 Approved
0.7595 Intermediate Similarity NPD943 Approved
0.7558 Intermediate Similarity NPD3749 Approved
0.7554 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD6959 Discontinued
0.7516 Intermediate Similarity NPD3027 Phase 3
0.7514 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD3787 Discontinued
0.7486 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.747 Intermediate Similarity NPD6799 Approved
0.7469 Intermediate Similarity NPD6100 Approved
0.7469 Intermediate Similarity NPD6099 Approved
0.7442 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD230 Phase 1
0.7425 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD919 Approved
0.7412 Intermediate Similarity NPD6599 Discontinued
0.7407 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD1653 Approved
0.7394 Intermediate Similarity NPD3750 Approved
0.7378 Intermediate Similarity NPD1549 Phase 2
0.7362 Intermediate Similarity NPD2935 Discontinued
0.7355 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD8434 Phase 2
0.7333 Intermediate Similarity NPD8151 Discontinued
0.733 Intermediate Similarity NPD1247 Approved
0.7326 Intermediate Similarity NPD6801 Discontinued
0.7317 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7316 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.731 Intermediate Similarity NPD7028 Phase 2
0.7289 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7289 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD6651 Approved
0.7278 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD8312 Approved
0.7268 Intermediate Similarity NPD8313 Approved
0.7267 Intermediate Similarity NPD7411 Suspended
0.7262 Intermediate Similarity NPD7390 Discontinued
0.7256 Intermediate Similarity NPD2796 Approved
0.7251 Intermediate Similarity NPD7458 Discontinued
0.725 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6190 Approved
0.7233 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD2800 Approved
0.7226 Intermediate Similarity NPD3705 Approved
0.7212 Intermediate Similarity NPD7266 Discontinued
0.7207 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7768 Phase 2
0.7195 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD7229 Phase 3
0.7188 Intermediate Similarity NPD6780 Approved
0.7188 Intermediate Similarity NPD6778 Approved
0.7188 Intermediate Similarity NPD6777 Approved
0.7188 Intermediate Similarity NPD6781 Approved
0.7188 Intermediate Similarity NPD6779 Approved
0.7188 Intermediate Similarity NPD6782 Approved
0.7188 Intermediate Similarity NPD6776 Approved
0.7165 Intermediate Similarity NPD7680 Approved
0.7165 Intermediate Similarity NPD7435 Discontinued
0.716 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD1613 Approved
0.7143 Intermediate Similarity NPD5402 Approved
0.7126 Intermediate Similarity NPD1243 Approved
0.7118 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD2344 Approved
0.7107 Intermediate Similarity NPD2798 Approved
0.7098 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD5711 Approved
0.7095 Intermediate Similarity NPD5710 Approved
0.7091 Intermediate Similarity NPD3748 Approved
0.7083 Intermediate Similarity NPD4628 Phase 3
0.7077 Intermediate Similarity NPD7697 Approved
0.7077 Intermediate Similarity NPD7698 Approved
0.7077 Intermediate Similarity NPD7696 Phase 3
0.7063 Intermediate Similarity NPD9494 Approved
0.7052 Intermediate Similarity NPD3226 Approved
0.7041 Intermediate Similarity NPD7871 Phase 2
0.7041 Intermediate Similarity NPD7870 Phase 2
0.7035 Intermediate Similarity NPD920 Approved
0.7035 Intermediate Similarity NPD5403 Approved
0.7026 Intermediate Similarity NPD6823 Phase 2
0.7024 Intermediate Similarity NPD6674 Discontinued
0.702 Intermediate Similarity NPD7701 Phase 2
0.7012 Intermediate Similarity NPD1933 Approved
0.7012 Intermediate Similarity NPD447 Suspended
0.7 Intermediate Similarity NPD7801 Approved
0.6989 Remote Similarity NPD8455 Phase 2
0.698 Remote Similarity NPD7930 Approved
0.6968 Remote Similarity NPD8150 Discontinued
0.6962 Remote Similarity NPD9269 Phase 2
0.6961 Remote Similarity NPD5242 Approved
0.6959 Remote Similarity NPD4357 Discontinued
0.6957 Remote Similarity NPD3018 Phase 2
0.695 Remote Similarity NPD7874 Approved
0.695 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6949 Remote Similarity NPD5353 Approved
0.6946 Remote Similarity NPD1551 Phase 2
0.6944 Remote Similarity NPD8127 Discontinued
0.6941 Remote Similarity NPD2309 Approved
0.6933 Remote Similarity NPD3764 Approved
0.6931 Remote Similarity NPD6841 Approved
0.6931 Remote Similarity NPD6843 Phase 3
0.6931 Remote Similarity NPD6842 Approved
0.6927 Remote Similarity NPD6535 Approved
0.6927 Remote Similarity NPD6534 Approved
0.6923 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6919 Remote Similarity NPD5401 Approved
0.6919 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6919 Remote Similarity NPD642 Clinical (unspecified phase)
0.6915 Remote Similarity NPD7783 Phase 2
0.6915 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6909 Remote Similarity NPD6355 Discontinued
0.6907 Remote Similarity NPD7699 Phase 2
0.6907 Remote Similarity NPD7700 Phase 2
0.6903 Remote Similarity NPD5536 Phase 2
0.6901 Remote Similarity NPD643 Clinical (unspecified phase)
0.6886 Remote Similarity NPD2799 Discontinued
0.6884 Remote Similarity NPD7584 Approved
0.6882 Remote Similarity NPD8166 Discontinued
0.6875 Remote Similarity NPD1283 Approved
0.6872 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6871 Remote Similarity NPD4625 Phase 3
0.6869 Remote Similarity NPD8320 Phase 1
0.6869 Remote Similarity NPD8319 Approved
0.6855 Remote Similarity NPD1608 Approved
0.6853 Remote Similarity NPD5005 Approved
0.6853 Remote Similarity NPD5006 Approved
0.6848 Remote Similarity NPD4060 Phase 1
0.6845 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6831 Remote Similarity NPD2403 Approved
0.6829 Remote Similarity NPD3268 Approved
0.6828 Remote Similarity NPD5953 Discontinued
0.6824 Remote Similarity NPD2654 Approved
0.6823 Remote Similarity NPD7296 Approved
0.6813 Remote Similarity NPD2982 Phase 2
0.6813 Remote Similarity NPD2983 Phase 2
0.6811 Remote Similarity NPD7286 Phase 2
0.681 Remote Similarity NPD4908 Phase 1
0.6805 Remote Similarity NPD2346 Discontinued
0.6786 Remote Similarity NPD7033 Discontinued
0.6784 Remote Similarity NPD7003 Approved
0.678 Remote Similarity NPD5089 Approved
0.678 Remote Similarity NPD5090 Approved
0.678 Remote Similarity NPD6386 Approved
0.678 Remote Similarity NPD6385 Approved

Structure

External Identifiers

PubChem CID   46883431
ChEMBL   CHEMBL1081696
ZINC  

Physicochemical Properties

Molecular Weight:  484.21
ALogP:  0.1757
MLogP:  3.55
XLogP:  2.528
# Rotatable Bonds:  14
Polar Surface Area:  103.68
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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