Natural Product: NPC52262

Natural Product ID:  NPC52262
Common Name:   Kopsiloscine J
IUPAC Name:  
Synonyms:   Kopsiloscine J
Molecular Formula:   C22H26N2O3
Standard InCHIKey:  XETGZIYAYIKTDY-QRGGPHLOSA-N
Standard InCHI:  InChI=1S/C22H26N2O3/c1-2-27-18(26)16-17(25)20-8-5-12-24-13-11-21(19(20)24)14-6-3-4-7-15(14)23-22(16,21)10-9-20/h3-8,16-17,19,23,25H,2,9-13H2,1H3/t16-,17+,19-,20+,21+,22+/m0/s1
Canonical SMILES:  CCOC(=O)[C@@H]1[C@@H](O)[C@@]23C=CCN4[C@@H]3[C@@]3([C@]1(CC2)Nc1c3cccc1)CC4
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
NPO19270 Kopsia singapurensis Species Apocynaceae Eukaryota leaf and stem-bark Pahang, Malaysia 1996-JUL PMID[18078327]
NPO21313 Rabdosia lasiocarpa Species Lamiaceae Eukaryota UNPD*
NPO17662 Scutellaria glabrata Species Lamiaceae Eukaryota UNPD*
NPO20028 Lethariella sernanderi Species Parmeliaceae Eukaryota UNPD*
NPO17897 Streptomyces albospinus Species Streptomycetaceae Bacteria UNPD*
NPO7972 Solaster endeca Species Solasteridae Eukaryota UNPD*
NPO21640 Pygmaeopremna herbacea NA NA NA UNPD*
NPO13485 Prismatomeris sessiliflora Species Rubiaceae Eukaryota UNPD*
NPO18923 Coleus xanthanthus Species Lamiaceae Eukaryota UNPD*
NPO8358 Senecio halimifolius Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 25 ug/ml 18078327
NPT91 Cell Line KB Homo sapiens IC50 = 15 ug/ml 18078327

  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 NPC52262 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
0.8827 High Similarity NPC473375
0.8827 High Similarity NPC97100
0.8795 High Similarity NPC99632
0.8795 High Similarity NPC282339
0.8564 High Similarity NPC221687
0.8402 Intermediate Similarity NPC225319
0.8289 Intermediate Similarity NPC471512
0.8268 Intermediate Similarity NPC97584
0.8172 Intermediate Similarity NPC90967
0.8142 Intermediate Similarity NPC22689
0.8142 Intermediate Similarity NPC105055
0.809 Intermediate Similarity NPC186669
0.8045 Intermediate Similarity NPC99043
0.8045 Intermediate Similarity NPC218594
0.8035 Intermediate Similarity NPC293458
0.7965 Intermediate Similarity NPC123241
0.7964 Intermediate Similarity NPC264589
0.7933 Intermediate Similarity NPC203202
0.7933 Intermediate Similarity NPC264482
0.7921 Intermediate Similarity NPC214626
0.7921 Intermediate Similarity NPC139085
0.7921 Intermediate Similarity NPC251212
0.7919 Intermediate Similarity NPC36495
0.7874 Intermediate Similarity NPC248117
0.7838 Intermediate Similarity NPC181928
0.7833 Intermediate Similarity NPC476441
0.7816 Intermediate Similarity NPC193410
0.7807 Intermediate Similarity NPC203628
0.7778 Intermediate Similarity NPC34717
0.7771 Intermediate Similarity NPC472102
0.7771 Intermediate Similarity NPC309531
0.7759 Intermediate Similarity NPC61013
0.7753 Intermediate Similarity NPC167724
0.7753 Intermediate Similarity NPC224970
0.7753 Intermediate Similarity NPC223595
0.774 Intermediate Similarity NPC472106
0.7737 Intermediate Similarity NPC303214
0.7723 Intermediate Similarity NPC288110
0.7723 Intermediate Similarity NPC222046
0.772 Intermediate Similarity NPC232600
0.7713 Intermediate Similarity NPC25401
0.7674 Intermediate Similarity NPC475763
0.7668 Intermediate Similarity NPC475489
0.766 Intermediate Similarity NPC5630
0.766 Intermediate Similarity NPC473298
0.765 Intermediate Similarity NPC6974
0.7627 Intermediate Similarity NPC472117
0.7624 Intermediate Similarity NPC476425
0.7622 Intermediate Similarity NPC159963
0.7604 Intermediate Similarity NPC162440
0.7602 Intermediate Similarity NPC87714
0.76 Intermediate Similarity NPC127996
0.7598 Intermediate Similarity NPC279527
0.7598 Intermediate Similarity NPC214960
0.7596 Intermediate Similarity NPC260075
0.7582 Intermediate Similarity NPC475097
0.7566 Intermediate Similarity NPC474059
0.7553 Intermediate Similarity NPC14994
0.7528 Intermediate Similarity NPC286871
0.7528 Intermediate Similarity NPC472101
0.7528 Intermediate Similarity NPC472120
0.7526 Intermediate Similarity NPC22476
0.7513 Intermediate Similarity NPC329833
0.7473 Intermediate Similarity NPC476428
0.7464 Intermediate Similarity NPC473458
0.7458 Intermediate Similarity NPC113946
0.7427 Intermediate Similarity NPC311330
0.7418 Intermediate Similarity NPC472118
0.7411 Intermediate Similarity NPC162730
0.7398 Intermediate Similarity NPC79129
0.7398 Intermediate Similarity NPC249150
0.7398 Intermediate Similarity NPC49196
0.7398 Intermediate Similarity NPC67904
0.7398 Intermediate Similarity NPC81654
0.7398 Intermediate Similarity NPC195461
0.7398 Intermediate Similarity NPC313985
0.7391 Intermediate Similarity NPC469726
0.7391 Intermediate Similarity NPC329338
0.7386 Intermediate Similarity NPC478076
0.7374 Intermediate Similarity NPC201424
0.7337 Intermediate Similarity NPC96901
0.7333 Intermediate Similarity NPC176983
0.7333 Intermediate Similarity NPC469741
0.7323 Intermediate Similarity NPC474116
0.7322 Intermediate Similarity NPC469915
0.7312 Intermediate Similarity NPC476326
0.731 Intermediate Similarity NPC138830
0.7299 Intermediate Similarity NPC471513
0.7299 Intermediate Similarity NPC212799
0.7296 Intermediate Similarity NPC50503
0.7249 Intermediate Similarity NPC477159
0.7247 Intermediate Similarity NPC473297
0.7243 Intermediate Similarity NPC285622
0.7241 Intermediate Similarity NPC234999
0.7238 Intermediate Similarity NPC472121
0.7236 Intermediate Similarity NPC1464
0.7207 Intermediate Similarity NPC29285
0.7182 Intermediate Similarity NPC315368
0.7175 Intermediate Similarity NPC154602
0.7171 Intermediate Similarity NPC475778
0.7171 Intermediate Similarity NPC119722
0.7164 Intermediate Similarity NPC475147
0.7151 Intermediate Similarity NPC473880
0.7151 Intermediate Similarity NPC473743
0.715 Intermediate Similarity NPC137589
0.715 Intermediate Similarity NPC234772
0.715 Intermediate Similarity NPC284706
0.7143 Intermediate Similarity NPC11149
0.7135 Intermediate Similarity NPC285381
0.7129 Intermediate Similarity NPC246140
0.7129 Intermediate Similarity NPC195787
0.7123 Intermediate Similarity NPC477394
0.7121 Intermediate Similarity NPC218733
0.7121 Intermediate Similarity NPC52557
0.7121 Intermediate Similarity NPC132874
0.7121 Intermediate Similarity NPC265642
0.7121 Intermediate Similarity NPC138615
0.712 Intermediate Similarity NPC472114
0.712 Intermediate Similarity NPC472115
0.7111 Intermediate Similarity NPC477156
0.7111 Intermediate Similarity NPC477157
0.7108 Intermediate Similarity NPC475133
0.7101 Intermediate Similarity NPC189661
0.7095 Intermediate Similarity NPC10653
0.7095 Intermediate Similarity NPC318525
0.709 Intermediate Similarity NPC321211
0.7088 Intermediate Similarity NPC474058
0.7079 Intermediate Similarity NPC243756
0.7072 Intermediate Similarity NPC153694
0.7072 Intermediate Similarity NPC211525
0.7065 Intermediate Similarity NPC470069
0.7065 Intermediate Similarity NPC52059
0.7059 Intermediate Similarity NPC210415
0.7059 Intermediate Similarity NPC293255
0.7059 Intermediate Similarity NPC21752
0.7059 Intermediate Similarity NPC298851
0.7059 Intermediate Similarity NPC181138
0.7059 Intermediate Similarity NPC276993
0.7056 Intermediate Similarity NPC181502
0.7056 Intermediate Similarity NPC85066
0.7052 Intermediate Similarity NPC186284
0.7052 Intermediate Similarity NPC22082
0.7039 Intermediate Similarity NPC122106
0.7033 Intermediate Similarity NPC97380
0.7033 Intermediate Similarity NPC243673
0.7033 Intermediate Similarity NPC148468
0.7033 Intermediate Similarity NPC63210
0.7033 Intermediate Similarity NPC263709
0.7033 Intermediate Similarity NPC310403
0.7024 Intermediate Similarity NPC469743
0.7005 Intermediate Similarity NPC159815
0.6991 Remote Similarity NPC477397
0.6982 Remote Similarity NPC469452
0.698 Remote Similarity NPC475223
0.6973 Remote Similarity NPC475420
0.6952 Remote Similarity NPC126556
0.695 Remote Similarity NPC100863
0.6946 Remote Similarity NPC475448
0.6946 Remote Similarity NPC246983
0.6923 Remote Similarity NPC151171
0.6923 Remote Similarity NPC21425
0.692 Remote Similarity NPC329932
0.6919 Remote Similarity NPC77777
0.6914 Remote Similarity NPC471516
0.6912 Remote Similarity NPC475847
0.6912 Remote Similarity NPC185742
0.6908 Remote Similarity NPC269449
0.6907 Remote Similarity NPC259626
0.6907 Remote Similarity NPC322621
0.6907 Remote Similarity NPC476095
0.6906 Remote Similarity NPC477395
0.6897 Remote Similarity NPC130251
0.6897 Remote Similarity NPC243162
0.6893 Remote Similarity NPC116519
0.6892 Remote Similarity NPC469450
0.6888 Remote Similarity NPC175474
0.6885 Remote Similarity NPC104345
0.6875 Remote Similarity NPC286994
0.6872 Remote Similarity NPC282092
0.6872 Remote Similarity NPC473837
0.6868 Remote Similarity NPC161827
0.6857 Remote Similarity NPC301760
0.6856 Remote Similarity NPC2933
0.6853 Remote Similarity NPC329858
0.6853 Remote Similarity NPC314333
0.6847 Remote Similarity NPC301501
0.6845 Remote Similarity NPC278887
0.6845 Remote Similarity NPC478075
0.6844 Remote Similarity NPC477393
0.6842 Remote Similarity NPC13367
0.6837 Remote Similarity NPC285841
0.6836 Remote Similarity NPC472103
0.6833 Remote Similarity NPC318086
0.6832 Remote Similarity NPC90358
0.6832 Remote Similarity NPC107828
0.683 Remote Similarity NPC469451
0.683 Remote Similarity NPC469722
0.6828 Remote Similarity NPC313757
0.6825 Remote Similarity NPC126492
0.6822 Remote Similarity NPC128476

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC52262 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
0.7398 Intermediate Similarity NPD4600 Approved
0.7398 Intermediate Similarity NPD4601 Approved
0.699 Remote Similarity NPD5504 Discontinued
0.6979 Remote Similarity NPD7962 Phase 2
0.6979 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6963 Remote Similarity NPD4330 Approved
0.6963 Remote Similarity NPD4329 Approved
0.6952 Remote Similarity NPD3376 Clinical (unspecified phase)
0.6931 Remote Similarity NPD3422 Phase 3
0.6931 Remote Similarity NPD3423 Phase 2
0.6927 Remote Similarity NPD3471 Approved
0.6927 Remote Similarity NPD3470 Approved
0.6897 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6859 Remote Similarity NPD3792 Approved
0.6853 Remote Similarity NPD4499 Approved
0.6836 Remote Similarity NPD7487 Discontinued
0.6832 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6823 Remote Similarity NPD3782 Discontinued
0.6816 Remote Similarity NPD3828 Approved
0.6813 Remote Similarity NPD4120 Approved
0.6813 Remote Similarity NPD4121 Phase 3
0.6809 Remote Similarity NPD2037 Approved
0.6802 Remote Similarity NPD5185 Approved
0.6802 Remote Similarity NPD5184 Approved
0.6802 Remote Similarity NPD5182 Approved
0.6798 Remote Similarity NPD7295 Approved
0.6796 Remote Similarity NPD7606 Phase 3
0.6776 Remote Similarity NPD5743 Approved
0.6776 Remote Similarity NPD5741 Approved
0.6776 Remote Similarity NPD5742 Approved
0.6754 Remote Similarity NPD5466 Approved
0.6737 Remote Similarity NPD2432 Approved
0.6737 Remote Similarity NPD2431 Approved
0.6736 Remote Similarity NPD2869 Clinical (unspecified phase)
0.672 Remote Similarity NPD2455 Approved
0.672 Remote Similarity NPD2454 Approved
0.672 Remote Similarity NPD2404 Discontinued
0.6719 Remote Similarity NPD3978 Clinical (unspecified phase)
0.67 Remote Similarity NPD4668 Phase 2
0.6685 Remote Similarity NPD5942 Approved
0.6685 Remote Similarity NPD5941 Approved
0.6684 Remote Similarity NPD4412 Phase 2
0.6634 Remote Similarity NPD6805 Discontinued
0.6631 Remote Similarity NPD2506 Approved
0.663 Remote Similarity NPD5086 Approved
0.663 Remote Similarity NPD7478 Approved
0.6617 Remote Similarity NPD5937 Approved
0.6614 Remote Similarity NPD5430 Discontinued
0.6613 Remote Similarity NPD8630 Approved
0.6592 Remote Similarity NPD7082 Approved
0.6592 Remote Similarity NPD2820 Phase 3
0.6591 Remote Similarity NPD3864 Clinical (unspecified phase)
0.6583 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6578 Remote Similarity NPD7599 Phase 2
0.6575 Remote Similarity NPD6416 Phase 2
0.6573 Remote Similarity NPD3625 Discontinued
0.6567 Remote Similarity NPD6630 Clinical (unspecified phase)
0.6559 Remote Similarity NPD1663 Discontinued
0.6559 Remote Similarity NPD7105 Phase 1
0.6557 Remote Similarity NPD4493 Discontinued
0.6556 Remote Similarity NPD7259 Approved
0.6548 Remote Similarity NPD3132 Approved
0.6548 Remote Similarity NPD2610 Approved
0.6548 Remote Similarity NPD2608 Approved
0.6548 Remote Similarity NPD4217 Approved
0.6548 Remote Similarity NPD4215 Approved
0.6548 Remote Similarity NPD2611 Approved
0.6548 Remote Similarity NPD4216 Approved
0.6548 Remote Similarity NPD2609 Approved
0.6548 Remote Similarity NPD4218 Approved
0.6548 Remote Similarity NPD2612 Approved
0.6548 Remote Similarity NPD3131 Approved
0.6544 Remote Similarity NPD5433 Clinical (unspecified phase)
0.6543 Remote Similarity NPD7600 Phase 2
0.6538 Remote Similarity NPD7794 Clinical (unspecified phase)
0.6536 Remote Similarity NPD2365 Approved
0.6531 Remote Similarity NPD6833 Clinical (unspecified phase)
0.6528 Remote Similarity NPD3377 Discontinued
0.6528 Remote Similarity NPD5997 Discontinued
0.6517 Remote Similarity NPD5928 Phase 1
0.6503 Remote Similarity NPD4888 Discontinued
0.6502 Remote Similarity NPD5610 Approved
0.65 Remote Similarity NPD5024 Approved
0.6495 Remote Similarity NPD5919 Clinical (unspecified phase)
0.649 Remote Similarity NPD8467 Approved
0.649 Remote Similarity NPD8428 Approved
0.649 Remote Similarity NPD8427 Approved
0.649 Remote Similarity NPD8429 Approved
0.649 Remote Similarity NPD8465 Approved
0.649 Remote Similarity NPD8466 Approved
0.6489 Remote Similarity NPD2427 Approved
0.6488 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6485 Remote Similarity NPD8240 Discontinued
0.6484 Remote Similarity NPD6995 Phase 1
0.6482 Remote Similarity NPD6557 Phase 2
0.648 Remote Similarity NPD7479 Phase 2
0.6465 Remote Similarity NPD8112 Clinical (unspecified phase)
0.6462 Remote Similarity NPD8022 Clinical (unspecified phase)
0.6462 Remote Similarity NPD2083 Clinical (unspecified phase)
0.6458 Remote Similarity NPD3468 Approved
0.6452 Remote Similarity NPD2790 Discontinued
0.6448 Remote Similarity NPD1802 Approved
0.6448 Remote Similarity NPD1801 Approved
0.6446 Remote Similarity NPD8364 Approved
0.6446 Remote Similarity NPD8363 Approved
0.6442 Remote Similarity NPD6238 Discontinued
0.6441 Remote Similarity NPD6292 Clinical (unspecified phase)
0.6436 Remote Similarity NPD5715 Clinical (unspecified phase)
0.6432 Remote Similarity NPD5982 Phase 2
0.6429 Remote Similarity NPD7587 Clinical (unspecified phase)
0.6425 Remote Similarity NPD4707 Clinical (unspecified phase)
0.6409 Remote Similarity NPD4430 Phase 2
0.6406 Remote Similarity NPD8002 Clinical (unspecified phase)
0.6406 Remote Similarity NPD8003 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3884 Discontinued
0.6398 Remote Similarity NPD7174 Clinical (unspecified phase)
0.6396 Remote Similarity NPD7881 Approved
0.6394 Remote Similarity NPD4501 Approved
0.6394 Remote Similarity NPD4500 Approved
0.6393 Remote Similarity NPD8365 Clinical (unspecified phase)
0.6386 Remote Similarity NPD8426 Approved
0.6386 Remote Similarity NPD8460 Approved
0.6386 Remote Similarity NPD8459 Approved
0.6386 Remote Similarity NPD8425 Approved
0.6382 Remote Similarity NPD8281 Discontinued
0.6381 Remote Similarity NPD7205 Discontinued
0.6377 Remote Similarity NPD5197 Approved
0.6377 Remote Similarity NPD5196 Approved
0.6377 Remote Similarity NPD5194 Approved
0.6372 Remote Similarity NPD7301 Phase 3
0.6372 Remote Similarity NPD6723 Discontinued
0.6369 Remote Similarity NPD3170 Approved
0.6368 Remote Similarity NPD7244 Discontinued
0.6364 Remote Similarity NPD6879 Phase 2
0.6364 Remote Similarity NPD6878 Phase 2
0.6359 Remote Similarity NPD7854 Phase 2
0.6354 Remote Similarity NPD7035 Approved
0.6354 Remote Similarity NPD6768 Approved
0.6354 Remote Similarity NPD7036 Phase 3
0.6348 Remote Similarity NPD6073 Approved
0.6345 Remote Similarity NPD5498 Phase 2
0.6343 Remote Similarity NPD4455 Discontinued
0.6343 Remote Similarity NPD1069 Approved
0.6343 Remote Similarity NPD1070 Approved
0.6338 Remote Similarity NPD4082 Approved
0.6338 Remote Similarity NPD2916 Discontinued
0.6338 Remote Similarity NPD4859 Phase 1
0.6337 Remote Similarity NPD6483 Approved
0.6337 Remote Similarity NPD6484 Approved
0.633 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6329 Remote Similarity NPD5003 Discontinued
0.6326 Remote Similarity NPD1945 Phase 1
0.6324 Remote Similarity NPD3304 Phase 2
0.6324 Remote Similarity NPD7528 Approved
0.6322 Remote Similarity NPD995 Clinical (unspecified phase)
0.6321 Remote Similarity NPD7957 Phase 1
0.6321 Remote Similarity NPD7958 Clinical (unspecified phase)
0.6319 Remote Similarity NPD1625 Approved
0.6318 Remote Similarity NPD2397 Discontinued
0.6313 Remote Similarity NPD2670 Approved
0.631 Remote Similarity NPD8401 Approved
0.631 Remote Similarity NPD8400 Approved
0.631 Remote Similarity NPD8402 Approved
0.6308 Remote Similarity NPD5727 Clinical (unspecified phase)
0.6305 Remote Similarity NPD7234 Approved
0.6305 Remote Similarity NPD7233 Approved
0.6304 Remote Similarity NPD4041 Approved
0.6302 Remote Similarity NPD3790 Phase 2
0.6301 Remote Similarity NPD7878 Phase 2
0.6301 Remote Similarity NPD7293 Approved
0.6298 Remote Similarity NPD7777 Approved
0.6298 Remote Similarity NPD7778 Approved
0.6298 Remote Similarity NPD53 Approved
0.6296 Remote Similarity NPD6570 Approved
0.6296 Remote Similarity NPD4494 Approved
0.6296 Remote Similarity NPD6571 Approved
0.6296 Remote Similarity NPD4492 Approved
0.6293 Remote Similarity NPD8146 Phase 2
0.629 Remote Similarity NPD2737 Clinical (unspecified phase)
0.6289 Remote Similarity NPD7580 Phase 3
0.6289 Remote Similarity NPD7581 Clinical (unspecified phase)
0.6289 Remote Similarity NPD2844 Phase 3
0.6286 Remote Similarity NPD2613 Approved
0.628 Remote Similarity NPD5411 Discontinued
0.6279 Remote Similarity NPD3893 Discontinued
0.6275 Remote Similarity NPD5758 Clinical (unspecified phase)
0.6269 Remote Similarity NPD7591 Clinical (unspecified phase)
0.6263 Remote Similarity NPD8006 Clinical (unspecified phase)
0.6256 Remote Similarity NPD7795 Phase 2
0.625 Remote Similarity NPD5060 Phase 1
0.625 Remote Similarity NPD6017 Discontinued
0.6244 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6244 Remote Similarity NPD6316 Clinical (unspecified phase)
0.6238 Remote Similarity NPD8167 Discontinued
0.6237 Remote Similarity NPD5823 Approved
0.6232 Remote Similarity NPD4602 Approved
0.6231 Remote Similarity NPD7775 Approved
0.623 Remote Similarity NPD6301 Phase 2
0.623 Remote Similarity NPD7114 Clinical (unspecified phase)
0.6223 Remote Similarity NPD2948 Discontinued

Structure

External Identifiers

PubChem CID   24770432
ChEMBL   CHEMBL256706
ZINC  

Physicochemical Properties

Molecular Weight:  366.19
ALogP:  -0.8113
MLogP:  3.33
XLogP:  2.951
# Rotatable Bonds:  5
Polar Surface Area:  61.8
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  27

Download Data

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