Natural Product: NPC477374

Natural Product ID:  NPC477374
Common Name:   Polysperlignan A
IUPAC Name:  
Synonyms:   Polysperlignan A
Molecular Formula:   C33H40O10
Standard InCHIKey:  HFXDDWNNHDACFM-JSAQTMETSA-N
Standard InCHI:  InChI=1S/C33H40O10/c1-11-16(3)32(34)42-26-18(5)19(6)27(43-33(35)17(4)12-2)21-14-23-29(41-15-40-23)31(39-10)25(21)24-20(26)13-22(36-7)28(37-8)30(24)38-9/h11-14,18-19,26-27H,15H2,1-10H3/b16-11-,17-12-/t18-,19+,26+,27+/m0/s1
Canonical SMILES:  C/C=C(C(=O)O[C@@H]1[C@H](C)[C@H](C)[C@@H](OC(=O)/C(=CC)/C)c2c(c3c1cc1OCOc1c3OC)c(OC)c(c(c2)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
NPO23565 Kadsura polysperma Species Schisandraceae Eukaryota stems Emei County of Sichuan Province, China 2009-AUG PMID[22329624]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT681 Cell Line PC-12 Rattus norvegicus Activity = 39.9 % 22329624
NPT681 Cell Line PC-12 Rattus norvegicus Activity = 46.4 % 22329624
NPT681 Cell Line PC-12 Rattus norvegicus Activity = 55.8 % 22329624
NPT681 Cell Line PC-12 Rattus norvegicus Activity = 58.2 % 22329624

  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 NPC477374 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 NPC477376
1.0 High Similarity NPC322426
0.993 High Similarity NPC316989
0.9929 High Similarity NPC252281
0.9929 High Similarity NPC327352
0.9929 High Similarity NPC477375
0.9929 High Similarity NPC198129
0.9724 High Similarity NPC477377
0.972 High Similarity NPC85141
0.9716 High Similarity NPC318286
0.9716 High Similarity NPC327651
0.9655 High Similarity NPC477378
0.9655 High Similarity NPC475229
0.9648 High Similarity NPC321958
0.9648 High Similarity NPC321696
0.9645 High Similarity NPC326144
0.9589 High Similarity NPC53669
0.9589 High Similarity NPC16791
0.9589 High Similarity NPC217708
0.9589 High Similarity NPC77237
0.9589 High Similarity NPC126405
0.9589 High Similarity NPC308739
0.9589 High Similarity NPC24562
0.9589 High Similarity NPC297271
0.9574 High Similarity NPC76415
0.9574 High Similarity NPC218510
0.9463 High Similarity NPC477885
0.9463 High Similarity NPC475592
0.9459 High Similarity NPC476065
0.9452 High Similarity NPC224472
0.9396 High Similarity NPC473323
0.9396 High Similarity NPC477380
0.9392 High Similarity NPC198461
0.9392 High Similarity NPC312763
0.9392 High Similarity NPC348849
0.9392 High Similarity NPC178195
0.9276 High Similarity NPC319749
0.9257 High Similarity NPC471154
0.9247 High Similarity NPC316676
0.9247 High Similarity NPC325720
0.922 High Similarity NPC865
0.9195 High Similarity NPC474606
0.9189 High Similarity NPC303519
0.9189 High Similarity NPC475756
0.9178 High Similarity NPC295297
0.9145 High Similarity NPC215400
0.9145 High Similarity NPC325122
0.9145 High Similarity NPC230531
0.9133 High Similarity NPC473425
0.9122 High Similarity NPC473989
0.9097 High Similarity NPC477884
0.9073 High Similarity NPC238834
0.906 High Similarity NPC477379
0.9054 High Similarity NPC474347
0.9054 High Similarity NPC474393
0.9026 High Similarity NPC258322
0.9026 High Similarity NPC191352
0.9014 High Similarity NPC143895
0.9013 High Similarity NPC29727
0.9007 High Similarity NPC256776
0.9007 High Similarity NPC185680
0.9007 High Similarity NPC145722
0.8993 High Similarity NPC477381
0.8993 High Similarity NPC470916
0.8968 High Similarity NPC280778
0.8947 High Similarity NPC117154
0.894 High Similarity NPC474514
0.8919 High Similarity NPC137352
0.8919 High Similarity NPC183083
0.8917 High Similarity NPC320471
0.8917 High Similarity NPC83049
0.8917 High Similarity NPC118162
0.8904 High Similarity NPC324962
0.8881 High Similarity NPC11453
0.8881 High Similarity NPC32189
0.8868 High Similarity NPC477883
0.8839 High Similarity NPC63061
0.8836 High Similarity NPC230538
0.8836 High Similarity NPC229172
0.8836 High Similarity NPC36531
0.8836 High Similarity NPC103637
0.8828 High Similarity NPC216434
0.8828 High Similarity NPC103448
0.8816 High Similarity NPC475141
0.8816 High Similarity NPC149735
0.8794 High Similarity NPC184928
0.8794 High Similarity NPC141493
0.8784 High Similarity NPC475868
0.8759 High Similarity NPC290714
0.8759 High Similarity NPC201404
0.8759 High Similarity NPC53722
0.8758 High Similarity NPC473736
0.8758 High Similarity NPC477881
0.875 High Similarity NPC220577
0.8742 High Similarity NPC311912
0.8742 High Similarity NPC79322
0.8733 High Similarity NPC477879
0.8726 High Similarity NPC61141
0.8725 High Similarity NPC474054
0.8716 High Similarity NPC172171
0.8716 High Similarity NPC87883
0.8716 High Similarity NPC143092
0.8716 High Similarity NPC475000
0.8716 High Similarity NPC121661
0.8716 High Similarity NPC474036
0.8716 High Similarity NPC18211
0.8716 High Similarity NPC239254
0.8716 High Similarity NPC73467
0.8707 High Similarity NPC474295
0.8707 High Similarity NPC287124
0.8688 High Similarity NPC88557
0.8684 High Similarity NPC210642
0.8684 High Similarity NPC13985
0.8658 High Similarity NPC166506
0.8658 High Similarity NPC110763
0.8658 High Similarity NPC197352
0.8658 High Similarity NPC189239
0.8654 High Similarity NPC173726
0.8654 High Similarity NPC241600
0.8636 High Similarity NPC273578
0.8627 High Similarity NPC104353
0.8618 High Similarity NPC24425
0.8618 High Similarity NPC149505
0.8609 High Similarity NPC304821
0.8609 High Similarity NPC262804
0.8609 High Similarity NPC40654
0.8601 High Similarity NPC65183
0.8601 High Similarity NPC261812
0.8601 High Similarity NPC475856
0.8601 High Similarity NPC72046
0.86 High Similarity NPC154971
0.86 High Similarity NPC252286
0.86 High Similarity NPC193779
0.8598 High Similarity NPC477880
0.8598 High Similarity NPC477882
0.8591 High Similarity NPC166884
0.8591 High Similarity NPC477701
0.8591 High Similarity NPC141569
0.8582 High Similarity NPC283114
0.8582 High Similarity NPC207702
0.8582 High Similarity NPC149008
0.8581 High Similarity NPC151423
0.8581 High Similarity NPC184684
0.8581 High Similarity NPC40237
0.8581 High Similarity NPC184641
0.8581 High Similarity NPC133934
0.8562 High Similarity NPC196420
0.8553 High Similarity NPC469475
0.8553 High Similarity NPC469518
0.8553 High Similarity NPC475865
0.8552 High Similarity NPC148893
0.8552 High Similarity NPC49235
0.8552 High Similarity NPC25333
0.8542 High Similarity NPC1474
0.8542 High Similarity NPC136750
0.8542 High Similarity NPC266848
0.8533 High Similarity NPC474158
0.8533 High Similarity NPC477702
0.8514 High Similarity NPC312199
0.8509 High Similarity NPC471180
0.8506 High Similarity NPC302610
0.8493 Intermediate Similarity NPC121651
0.8491 Intermediate Similarity NPC473445
0.8491 Intermediate Similarity NPC469512
0.8487 Intermediate Similarity NPC102934
0.8487 Intermediate Similarity NPC252402
0.8483 Intermediate Similarity NPC31530
0.8481 Intermediate Similarity NPC474770
0.8477 Intermediate Similarity NPC87295
0.8477 Intermediate Similarity NPC212890
0.8472 Intermediate Similarity NPC7744
0.8471 Intermediate Similarity NPC207584
0.8471 Intermediate Similarity NPC19947
0.8467 Intermediate Similarity NPC92693
0.8467 Intermediate Similarity NPC218841
0.8462 Intermediate Similarity NPC470624
0.8462 Intermediate Similarity NPC237169
0.8456 Intermediate Similarity NPC176586
0.8456 Intermediate Similarity NPC210354
0.8452 Intermediate Similarity NPC245948
0.844 Intermediate Similarity NPC88297
0.844 Intermediate Similarity NPC186845
0.844 Intermediate Similarity NPC9891
0.8438 Intermediate Similarity NPC291977
0.8435 Intermediate Similarity NPC261714
0.8425 Intermediate Similarity NPC72796
0.8425 Intermediate Similarity NPC474139
0.8425 Intermediate Similarity NPC189474
0.8425 Intermediate Similarity NPC44245
0.8425 Intermediate Similarity NPC236522
0.8421 Intermediate Similarity NPC101755
0.8421 Intermediate Similarity NPC104024
0.8421 Intermediate Similarity NPC80230
0.8421 Intermediate Similarity NPC304687
0.8421 Intermediate Similarity NPC65574
0.8418 Intermediate Similarity NPC474043
0.8415 Intermediate Similarity NPC474568
0.8408 Intermediate Similarity NPC301897
0.8408 Intermediate Similarity NPC32373
0.8408 Intermediate Similarity NPC237946

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477374 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
0.8452 Intermediate Similarity NPD37 Approved
0.8408 Intermediate Similarity NPD4967 Phase 2
0.8408 Intermediate Similarity NPD4965 Approved
0.8408 Intermediate Similarity NPD4966 Approved
0.8302 Intermediate Similarity NPD6234 Discontinued
0.8129 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8086 Intermediate Similarity NPD7199 Phase 2
0.8085 Intermediate Similarity NPD3705 Approved
0.8061 Intermediate Similarity NPD7228 Approved
0.7988 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD7240 Approved
0.7736 Intermediate Similarity NPD1653 Approved
0.7633 Intermediate Similarity NPD3818 Discontinued
0.7595 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD5494 Approved
0.7588 Intermediate Similarity NPD5844 Phase 1
0.7586 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7574 Intermediate Similarity NPD7473 Discontinued
0.7548 Intermediate Similarity NPD7266 Discontinued
0.7533 Intermediate Similarity NPD3027 Phase 3
0.7515 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6232 Discontinued
0.75 Intermediate Similarity NPD7819 Suspended
0.7455 Intermediate Similarity NPD3817 Phase 2
0.7452 Intermediate Similarity NPD6674 Discontinued
0.7442 Intermediate Similarity NPD7074 Phase 3
0.74 Intermediate Similarity NPD3018 Phase 2
0.7394 Intermediate Similarity NPD1465 Phase 2
0.7391 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD7054 Approved
0.7356 Intermediate Similarity NPD6559 Discontinued
0.7341 Intermediate Similarity NPD7472 Approved
0.7337 Intermediate Similarity NPD8127 Discontinued
0.733 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7324 Intermediate Similarity NPD5283 Phase 1
0.7321 Intermediate Similarity NPD919 Approved
0.7314 Intermediate Similarity NPD7808 Phase 3
0.7308 Intermediate Similarity NPD3748 Approved
0.7297 Intermediate Similarity NPD2981 Phase 2
0.7273 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1613 Approved
0.7263 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7262 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD2438 Suspended
0.726 Intermediate Similarity NPD5691 Approved
0.7257 Intermediate Similarity NPD7685 Pre-registration
0.7255 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD3926 Phase 2
0.7248 Intermediate Similarity NPD2983 Phase 2
0.7248 Intermediate Similarity NPD2982 Phase 2
0.7246 Intermediate Similarity NPD5353 Approved
0.7241 Intermediate Similarity NPD5536 Phase 2
0.7229 Intermediate Similarity NPD1934 Approved
0.7228 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7207 Intermediate Similarity NPD6842 Approved
0.7207 Intermediate Similarity NPD6843 Phase 3
0.7207 Intermediate Similarity NPD6841 Approved
0.7202 Intermediate Similarity NPD3882 Suspended
0.7193 Intermediate Similarity NPD7229 Phase 3
0.7186 Intermediate Similarity NPD8455 Phase 2
0.7171 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD7680 Approved
0.7161 Intermediate Similarity NPD4060 Phase 1
0.716 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD7251 Discontinued
0.7152 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD5242 Approved
0.7124 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD2532 Approved
0.7117 Intermediate Similarity NPD2534 Approved
0.7117 Intermediate Similarity NPD2533 Approved
0.7115 Intermediate Similarity NPD1933 Approved
0.7115 Intermediate Similarity NPD6355 Discontinued
0.7112 Intermediate Similarity NPD5005 Approved
0.7112 Intermediate Similarity NPD5006 Approved
0.7107 Intermediate Similarity NPD5762 Approved
0.7107 Intermediate Similarity NPD5763 Approved
0.7102 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD6797 Phase 2
0.7083 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD3750 Approved
0.7081 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD7075 Discontinued
0.7055 Intermediate Similarity NPD6799 Approved
0.7051 Intermediate Similarity NPD2979 Phase 3
0.7044 Intermediate Similarity NPD2796 Approved
0.7037 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD1247 Approved
0.7022 Intermediate Similarity NPD7549 Discontinued
0.7013 Intermediate Similarity NPD4908 Phase 1
0.7011 Intermediate Similarity NPD6166 Phase 2
0.7011 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7011 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6599 Discontinued
0.7 Intermediate Similarity NPD7768 Phase 2
0.6995 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6989 Remote Similarity NPD4420 Approved
0.6989 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6983 Remote Similarity NPD8312 Approved
0.6983 Remote Similarity NPD8313 Approved
0.6982 Remote Similarity NPD2801 Approved
0.698 Remote Similarity NPD4626 Approved
0.6975 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6975 Remote Similarity NPD4110 Phase 3
0.6964 Remote Similarity NPD6386 Approved
0.6964 Remote Similarity NPD5089 Approved
0.6964 Remote Similarity NPD5090 Approved
0.6964 Remote Similarity NPD6385 Approved
0.6951 Remote Similarity NPD4357 Discontinued
0.6941 Remote Similarity NPD5402 Approved
0.6941 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6937 Remote Similarity NPD3539 Phase 1
0.6933 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6932 Remote Similarity NPD3751 Discontinued
0.6928 Remote Similarity NPD920 Approved
0.6923 Remote Similarity NPD6801 Discontinued
0.6923 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6918 Remote Similarity NPD7097 Phase 1
0.6914 Remote Similarity NPD1652 Phase 2
0.6914 Remote Similarity NPD1243 Approved
0.6913 Remote Similarity NPD1357 Approved
0.6908 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4380 Phase 2
0.6905 Remote Similarity NPD7028 Phase 2
0.6903 Remote Similarity NPD6832 Phase 2
0.6901 Remote Similarity NPD1358 Approved
0.6899 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6899 Remote Similarity NPD230 Phase 1
0.6899 Remote Similarity NPD5124 Phase 1
0.6897 Remote Similarity NPD3787 Discontinued
0.6894 Remote Similarity NPD3540 Phase 1
0.6891 Remote Similarity NPD8151 Discontinued
0.689 Remote Similarity NPD7124 Phase 2
0.6887 Remote Similarity NPD422 Phase 1
0.6887 Remote Similarity NPD1611 Approved
0.6887 Remote Similarity NPD1281 Approved
0.6887 Remote Similarity NPD1610 Phase 2
0.6883 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6882 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6882 Remote Similarity NPD4585 Approved
0.6871 Remote Similarity NPD4628 Phase 3
0.6868 Remote Similarity NPD8434 Phase 2
0.6859 Remote Similarity NPD4625 Phase 3
0.6845 Remote Similarity NPD7458 Discontinued
0.6842 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6839 Remote Similarity NPD2861 Phase 2
0.6839 Remote Similarity NPD6959 Discontinued
0.6832 Remote Similarity NPD2935 Discontinued
0.6831 Remote Similarity NPD3134 Approved
0.6829 Remote Similarity NPD6190 Approved
0.6826 Remote Similarity NPD5403 Approved
0.6818 Remote Similarity NPD4481 Phase 3
0.6813 Remote Similarity NPD6111 Discontinued
0.6807 Remote Similarity NPD5401 Approved
0.6807 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6807 Remote Similarity NPD642 Clinical (unspecified phase)
0.68 Remote Similarity NPD5585 Approved
0.6795 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6793 Remote Similarity NPD7235 Clinical (unspecified phase)
0.6792 Remote Similarity NPD3657 Discovery
0.6788 Remote Similarity NPD643 Clinical (unspecified phase)
0.6776 Remote Similarity NPD1091 Approved
0.6772 Remote Similarity NPD8032 Phase 2
0.677 Remote Similarity NPD4108 Discontinued
0.6768 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6765 Remote Similarity NPD7411 Suspended
0.6763 Remote Similarity NPD3749 Approved
0.6763 Remote Similarity NPD4055 Discovery
0.6755 Remote Similarity NPD17 Approved
0.6753 Remote Similarity NPD1283 Approved
0.6752 Remote Similarity NPD7095 Approved
0.6747 Remote Similarity NPD1511 Approved
0.6747 Remote Similarity NPD5297 Approved
0.6746 Remote Similarity NPD8158 Clinical (unspecified phase)
0.6746 Remote Similarity NPD4005 Discontinued
0.6746 Remote Similarity NPD5808 Clinical (unspecified phase)
0.673 Remote Similarity NPD3620 Phase 2
0.673 Remote Similarity NPD4140 Approved
0.673 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6728 Remote Similarity NPD2531 Phase 2
0.6728 Remote Similarity NPD6099 Approved
0.6728 Remote Similarity NPD6100 Approved
0.6725 Remote Similarity NPD3384 Approved
0.6725 Remote Similarity NPD3383 Approved
0.6725 Remote Similarity NPD3382 Approved
0.6723 Remote Similarity NPD7852 Clinical (unspecified phase)
0.672 Remote Similarity NPD7296 Approved
0.6711 Remote Similarity NPD3496 Discontinued
0.671 Remote Similarity NPD3267 Approved
0.671 Remote Similarity NPD3266 Approved
0.671 Remote Similarity NPD2797 Approved
0.6709 Remote Similarity NPD5111 Phase 2
0.6709 Remote Similarity NPD5109 Approved
0.6709 Remote Similarity NPD5110 Phase 2
0.6709 Remote Similarity NPD6798 Discontinued

Structure

External Identifiers

PubChem CID   57333438
ChEMBL   CHEMBL2012544
ZINC  

Physicochemical Properties

Molecular Weight:  596.26
ALogP:  2.1813
MLogP:  3.99
XLogP:  4.631
# Rotatable Bonds:  20
Polar Surface Area:  107.98
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  43

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Biological Activities  
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