Natural Product: NPC469475

Natural Product ID:  NPC469475
Common Name:   Arisanschinin K
IUPAC Name:  
Synonyms:   Arisanschinin K
Molecular Formula:   C26H30O8
Standard InCHIKey:  AEBDJASMVJXWIR-JJXKJSPDSA-N
Standard InCHI:  InChI=1S/C26H30O8/c1-7-12(2)21(27)20-15-10-16(30-4)24(31-5)23(29)19(15)18-14(8-13(3)22(20)28)9-17-25(26(18)32-6)34-11-33-17/h7,9-10,13,20,22,28-29H,8,11H2,1-6H3/b12-7+/t13-,20-,22-/m1/s1
Canonical SMILES:  C/C=C(/C(=O)[C@@H]1[C@H](O)[C@H](C)Cc2c(c3c1cc(OC)c(c3O)OC)c(OC)c1c(c2)OCO1)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 = 33.3 % 26551342
NPT927 Cell Line PBMC Homo sapiens Inhibition = 25.3 % 26110443
NPT927 Cell Line PBMC Homo sapiens Inhibition = 57.1 % 16933872

  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 NPC469475 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 NPC469518
0.9679 High Similarity NPC469512
0.9625 High Similarity NPC469506
0.9484 High Similarity NPC469474
0.9383 High Similarity NPC471181
0.9371 High Similarity NPC475865
0.9264 High Similarity NPC178737
0.9198 High Similarity NPC471180
0.9114 High Similarity NPC477380
0.9091 High Similarity NPC304821
0.9085 High Similarity NPC477883
0.908 High Similarity NPC311912
0.9074 High Similarity NPC475738
0.9057 High Similarity NPC477885
0.9051 High Similarity NPC476065
0.9051 High Similarity NPC238834
0.9024 High Similarity NPC88557
0.9 High Similarity NPC325122
0.8987 High Similarity NPC287504
0.8981 High Similarity NPC272566
0.8981 High Similarity NPC220577
0.8976 High Similarity NPC477881
0.8944 High Similarity NPC474770
0.8938 High Similarity NPC475592
0.8924 High Similarity NPC474606
0.8924 High Similarity NPC474514
0.8924 High Similarity NPC24562
0.8917 High Similarity NPC475756
0.8896 High Similarity NPC189239
0.8896 High Similarity NPC110763
0.8896 High Similarity NPC197352
0.8896 High Similarity NPC166506
0.8868 High Similarity NPC312763
0.8868 High Similarity NPC25127
0.8861 High Similarity NPC471154
0.8855 High Similarity NPC212748
0.8834 High Similarity NPC61141
0.8834 High Similarity NPC76687
0.8831 High Similarity NPC73467
0.8831 High Similarity NPC121661
0.8824 High Similarity NPC170203
0.8817 High Similarity NPC477880
0.8817 High Similarity NPC477882
0.8805 High Similarity NPC126405
0.8805 High Similarity NPC217708
0.8805 High Similarity NPC53669
0.8805 High Similarity NPC16791
0.8805 High Similarity NPC77237
0.8805 High Similarity NPC297271
0.8805 High Similarity NPC308739
0.8802 High Similarity NPC235575
0.8797 High Similarity NPC234152
0.8788 High Similarity NPC320471
0.8788 High Similarity NPC118162
0.8788 High Similarity NPC83049
0.8773 High Similarity NPC260640
0.8773 High Similarity NPC295009
0.8766 High Similarity NPC324962
0.8765 High Similarity NPC215400
0.8765 High Similarity NPC230531
0.8758 High Similarity NPC473323
0.875 High Similarity NPC348849
0.875 High Similarity NPC178195
0.875 High Similarity NPC198461
0.875 High Similarity NPC136757
0.8742 High Similarity NPC151425
0.8735 High Similarity NPC79322
0.8735 High Similarity NPC229729
0.8727 High Similarity NPC477884
0.8727 High Similarity NPC165720
0.8726 High Similarity NPC325720
0.8726 High Similarity NPC316676
0.872 High Similarity NPC300537
0.872 High Similarity NPC127782
0.8718 High Similarity NPC252286
0.8718 High Similarity NPC154971
0.8718 High Similarity NPC87295
0.8712 High Similarity NPC225624
0.8712 High Similarity NPC285973
0.8704 High Similarity NPC190020
0.8704 High Similarity NPC474990
0.8704 High Similarity NPC77679
0.8704 High Similarity NPC84935
0.8704 High Similarity NPC167595
0.8701 High Similarity NPC229172
0.8701 High Similarity NPC184641
0.8701 High Similarity NPC36531
0.8701 High Similarity NPC184684
0.8701 High Similarity NPC133934
0.8701 High Similarity NPC103637
0.8701 High Similarity NPC230538
0.8696 High Similarity NPC79998
0.869 High Similarity NPC261254
0.8688 High Similarity NPC35544
0.8688 High Similarity NPC104728
0.8683 High Similarity NPC229687
0.8679 High Similarity NPC224472
0.8679 High Similarity NPC62354
0.8675 High Similarity NPC254306
0.8675 High Similarity NPC236934
0.8675 High Similarity NPC5778
0.8671 High Similarity NPC474347
0.8671 High Similarity NPC474393
0.8671 High Similarity NPC474903
0.8667 High Similarity NPC222936
0.8667 High Similarity NPC284960
0.8667 High Similarity NPC88043
0.8655 High Similarity NPC212290
0.8654 High Similarity NPC475868
0.865 High Similarity NPC215375
0.865 High Similarity NPC62518
0.8647 High Similarity NPC473713
0.8642 High Similarity NPC150227
0.8634 High Similarity NPC473425
0.8631 High Similarity NPC224462
0.8631 High Similarity NPC231194
0.8631 High Similarity NPC51326
0.8631 High Similarity NPC72249
0.8625 High Similarity NPC477699
0.8623 High Similarity NPC477502
0.8623 High Similarity NPC45400
0.8623 High Similarity NPC48640
0.8623 High Similarity NPC116745
0.8623 High Similarity NPC149244
0.8616 High Similarity NPC316989
0.8616 High Similarity NPC473989
0.8616 High Similarity NPC470916
0.8614 High Similarity NPC22832
0.8614 High Similarity NPC311830
0.8614 High Similarity NPC34531
0.8608 High Similarity NPC252281
0.8608 High Similarity NPC477375
0.8608 High Similarity NPC198129
0.8608 High Similarity NPC327352
0.8606 High Similarity NPC215612
0.8606 High Similarity NPC473043
0.8606 High Similarity NPC469575
0.8606 High Similarity NPC42797
0.8606 High Similarity NPC472964
0.8606 High Similarity NPC125991
0.8606 High Similarity NPC473445
0.8598 High Similarity NPC268718
0.8598 High Similarity NPC91634
0.8598 High Similarity NPC472902
0.8598 High Similarity NPC150943
0.8598 High Similarity NPC24627
0.859 High Similarity NPC172171
0.859 High Similarity NPC239254
0.858 High Similarity NPC205076
0.858 High Similarity NPC16082
0.858 High Similarity NPC199926
0.858 High Similarity NPC82592
0.858 High Similarity NPC260263
0.858 High Similarity NPC48773
0.858 High Similarity NPC307518
0.8571 High Similarity NPC476771
0.8571 High Similarity NPC245948
0.8571 High Similarity NPC183036
0.8571 High Similarity NPC149735
0.8563 High Similarity NPC178851
0.8563 High Similarity NPC255615
0.8563 High Similarity NPC67037
0.8562 High Similarity NPC303519
0.8562 High Similarity NPC477700
0.8562 High Similarity NPC85131
0.8562 High Similarity NPC32079
0.8554 High Similarity NPC133065
0.8554 High Similarity NPC88023
0.8554 High Similarity NPC270335
0.8554 High Similarity NPC291977
0.8554 High Similarity NPC29830
0.8554 High Similarity NPC168822
0.8554 High Similarity NPC309025
0.8554 High Similarity NPC470178
0.8554 High Similarity NPC243930
0.8554 High Similarity NPC191306
0.8554 High Similarity NPC19709
0.8554 High Similarity NPC475985
0.8553 High Similarity NPC477374
0.8553 High Similarity NPC322426
0.8553 High Similarity NPC477376
0.8553 High Similarity NPC85141
0.8547 High Similarity NPC244903
0.8545 High Similarity NPC319749
0.8545 High Similarity NPC191352
0.8545 High Similarity NPC258322
0.8545 High Similarity NPC87431
0.8544 High Similarity NPC88345
0.8538 High Similarity NPC257714
0.8538 High Similarity NPC472723
0.8529 High Similarity NPC166674
0.8529 High Similarity NPC263119
0.8529 High Similarity NPC34436
0.8529 High Similarity NPC46640
0.8529 High Similarity NPC474568
0.8529 High Similarity NPC98776
0.8529 High Similarity NPC219600
0.8528 High Similarity NPC227062
0.8521 High Similarity NPC471416
0.8521 High Similarity NPC22195

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469475 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
0.8848 High Similarity NPD3818 Discontinued
0.8571 High Similarity NPD37 Approved
0.8537 High Similarity NPD6234 Discontinued
0.8521 High Similarity NPD7074 Phase 3
0.8462 Intermediate Similarity NPD7054 Approved
0.8415 Intermediate Similarity NPD4965 Approved
0.8415 Intermediate Similarity NPD4967 Phase 2
0.8415 Intermediate Similarity NPD4966 Approved
0.8412 Intermediate Similarity NPD7472 Approved
0.8344 Intermediate Similarity NPD1934 Approved
0.8323 Intermediate Similarity NPD7199 Phase 2
0.8303 Intermediate Similarity NPD3882 Suspended
0.8294 Intermediate Similarity NPD7228 Approved
0.8256 Intermediate Similarity NPD6797 Phase 2
0.8253 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD7473 Discontinued
0.8208 Intermediate Similarity NPD7251 Discontinued
0.8182 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8176 Intermediate Similarity NPD6166 Phase 2
0.8176 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8166 Intermediate Similarity NPD6232 Discontinued
0.8161 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8161 Intermediate Similarity NPD7808 Phase 3
0.8148 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.8103 Intermediate Similarity NPD6559 Discontinued
0.8084 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8072 Intermediate Similarity NPD2801 Approved
0.8023 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4380 Phase 2
0.7964 Intermediate Similarity NPD1465 Phase 2
0.7941 Intermediate Similarity NPD5494 Approved
0.7931 Intermediate Similarity NPD5844 Phase 1
0.7917 Intermediate Similarity NPD3817 Phase 2
0.7853 Intermediate Similarity NPD1511 Approved
0.7853 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7806 Intermediate Similarity NPD3027 Phase 3
0.7797 Intermediate Similarity NPD7240 Approved
0.779 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD3751 Discontinued
0.7764 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7758 Intermediate Similarity NPD1512 Approved
0.7751 Intermediate Similarity NPD7819 Suspended
0.774 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD7075 Discontinued
0.7697 Intermediate Similarity NPD7685 Pre-registration
0.7697 Intermediate Similarity NPD2533 Approved
0.7697 Intermediate Similarity NPD2532 Approved
0.7697 Intermediate Similarity NPD2534 Approved
0.7688 Intermediate Similarity NPD1510 Phase 2
0.7688 Intermediate Similarity NPD6959 Discontinued
0.7665 Intermediate Similarity NPD1653 Approved
0.7658 Intermediate Similarity NPD1240 Approved
0.7644 Intermediate Similarity NPD3787 Discontinued
0.7609 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD3926 Phase 2
0.7588 Intermediate Similarity NPD6801 Discontinued
0.7562 Intermediate Similarity NPD1607 Approved
0.7547 Intermediate Similarity NPD943 Approved
0.7546 Intermediate Similarity NPD1549 Phase 2
0.7544 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.753 Intermediate Similarity NPD6799 Approved
0.75 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD230 Phase 1
0.7485 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7474 Intermediate Similarity NPD8151 Discontinued
0.7473 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD919 Approved
0.7471 Intermediate Similarity NPD6599 Discontinued
0.746 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1613 Approved
0.7438 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD2796 Approved
0.7418 Intermediate Similarity NPD8313 Approved
0.7418 Intermediate Similarity NPD8312 Approved
0.7414 Intermediate Similarity NPD3749 Approved
0.741 Intermediate Similarity NPD6190 Approved
0.7399 Intermediate Similarity NPD5402 Approved
0.7391 Intermediate Similarity NPD8434 Phase 2
0.7386 Intermediate Similarity NPD1247 Approved
0.7378 Intermediate Similarity NPD7266 Discontinued
0.7362 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7349 Intermediate Similarity NPD3750 Approved
0.7349 Intermediate Similarity NPD4628 Phase 3
0.733 Intermediate Similarity NPD6776 Approved
0.733 Intermediate Similarity NPD6779 Approved
0.733 Intermediate Similarity NPD6781 Approved
0.733 Intermediate Similarity NPD6782 Approved
0.733 Intermediate Similarity NPD6777 Approved
0.733 Intermediate Similarity NPD6778 Approved
0.733 Intermediate Similarity NPD6780 Approved
0.7326 Intermediate Similarity NPD7411 Suspended
0.7317 Intermediate Similarity NPD2935 Discontinued
0.7308 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7306 Intermediate Similarity NPD7680 Approved
0.7294 Intermediate Similarity NPD5403 Approved
0.729 Intermediate Similarity NPD3705 Approved
0.7278 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7263 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7390 Discontinued
0.7216 Intermediate Similarity NPD7435 Discontinued
0.7212 Intermediate Similarity NPD6099 Approved
0.7212 Intermediate Similarity NPD6100 Approved
0.7209 Intermediate Similarity NPD7458 Discontinued
0.7205 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7186 Intermediate Similarity NPD6674 Discontinued
0.7186 Intermediate Similarity NPD2800 Approved
0.7176 Intermediate Similarity NPD5401 Approved
0.7176 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7168 Intermediate Similarity NPD7028 Phase 2
0.7159 Intermediate Similarity NPD7768 Phase 2
0.7152 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7229 Phase 3
0.7151 Intermediate Similarity NPD5710 Approved
0.7151 Intermediate Similarity NPD5711 Approved
0.7143 Intermediate Similarity NPD8455 Phase 2
0.7134 Intermediate Similarity NPD6651 Approved
0.7128 Intermediate Similarity NPD7696 Phase 3
0.7128 Intermediate Similarity NPD7697 Approved
0.7128 Intermediate Similarity NPD7698 Approved
0.7125 Intermediate Similarity NPD9494 Approved
0.7095 Intermediate Similarity NPD8127 Discontinued
0.7093 Intermediate Similarity NPD920 Approved
0.7092 Intermediate Similarity NPD7870 Phase 2
0.7092 Intermediate Similarity NPD7871 Phase 2
0.7083 Intermediate Similarity NPD1243 Approved
0.7077 Intermediate Similarity NPD6823 Phase 2
0.7074 Intermediate Similarity NPD6841 Approved
0.7074 Intermediate Similarity NPD6843 Phase 3
0.7074 Intermediate Similarity NPD6842 Approved
0.7071 Intermediate Similarity NPD7701 Phase 2
0.7068 Intermediate Similarity NPD6535 Approved
0.7068 Intermediate Similarity NPD6534 Approved
0.7066 Intermediate Similarity NPD2344 Approved
0.7063 Intermediate Similarity NPD2798 Approved
0.7062 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.705 Intermediate Similarity NPD7801 Approved
0.7048 Intermediate Similarity NPD3748 Approved
0.7041 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD7930 Approved
0.7021 Intermediate Similarity NPD8150 Discontinued
0.7017 Intermediate Similarity NPD5242 Approved
0.7012 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7012 Intermediate Similarity NPD3620 Phase 2
0.7011 Intermediate Similarity NPD3226 Approved
0.7006 Intermediate Similarity NPD1551 Phase 2
0.7006 Intermediate Similarity NPD5353 Approved
0.7 Intermediate Similarity NPD7874 Approved
0.7 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.699 Remote Similarity NPD5006 Approved
0.699 Remote Similarity NPD5005 Approved
0.6989 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6977 Remote Similarity NPD642 Clinical (unspecified phase)
0.697 Remote Similarity NPD1933 Approved
0.697 Remote Similarity NPD447 Suspended
0.697 Remote Similarity NPD6355 Discontinued
0.6965 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6965 Remote Similarity NPD7783 Phase 2
0.6959 Remote Similarity NPD7699 Phase 2
0.6959 Remote Similarity NPD643 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7700 Phase 2
0.6946 Remote Similarity NPD7033 Discontinued
0.6935 Remote Similarity NPD7584 Approved
0.6927 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6919 Remote Similarity NPD4357 Discontinued
0.6919 Remote Similarity NPD8320 Phase 1
0.6919 Remote Similarity NPD8319 Approved
0.6918 Remote Similarity NPD9269 Phase 2
0.6914 Remote Similarity NPD3018 Phase 2
0.6914 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6909 Remote Similarity NPD4060 Phase 1
0.6905 Remote Similarity NPD2438 Suspended
0.6901 Remote Similarity NPD2309 Approved
0.6882 Remote Similarity NPD5953 Discontinued
0.6879 Remote Similarity NPD1357 Approved
0.6872 Remote Similarity NPD4420 Approved
0.6871 Remote Similarity NPD4908 Phase 1
0.6859 Remote Similarity NPD5536 Phase 2
0.6845 Remote Similarity NPD2799 Discontinued
0.6842 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6842 Remote Similarity NPD8166 Discontinued
0.6842 Remote Similarity NPD4110 Phase 3
0.6839 Remote Similarity NPD6213 Phase 3
0.6839 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6839 Remote Similarity NPD6212 Phase 3
0.6832 Remote Similarity NPD1283 Approved
0.6813 Remote Similarity NPD1608 Approved
0.6788 Remote Similarity NPD3764 Approved
0.6788 Remote Similarity NPD3268 Approved
0.6788 Remote Similarity NPD7296 Approved

Structure

External Identifiers

PubChem CID   46883434
ChEMBL   CHEMBL1079711
ZINC  

Physicochemical Properties

Molecular Weight:  470.19
ALogP:  -0.0293
MLogP:  3.44
XLogP:  2.111
# Rotatable Bonds:  13
Polar Surface Area:  103.68
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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