Natural Product: NPC320147

Natural Product ID:  NPC320147
Common Name:   Caracurine V
IUPAC Name:  
Synonyms:   Caracurine V
Molecular Formula:   C38H40N4O2
Standard InCHIKey:  CIRUUTNLDXXBKU-HCKBHOMASA-N
Standard InCHI:  InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
Canonical SMILES:  C1C=C2CN3CC[C@]45[C@@H]6[C@H]([C@@H](O1)N1c7ccccc7[C@]78[C@@H]1[C@@H]1[C@H](N6c6c5cccc6)OCC=C5[C@@H]1C[C@@H]8N(CC7)C5)[C@H]2C[C@H]34
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
NPO4766 Strychnos afzelii Species Loganiaceae Eukaryota TCM_Taiwan*
NPO6440 Strychnos dolichothyrsa Species Loganiaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT263 Individual Protein Muscarinic acetylcholine receptor M2 Homo sapiens EC50 = 436.52 nM 16387499
NPT3922 Protein Complex Acetylcholine receptor Torpedo californica Ki < 100000 nM 16387499
NPT2843 Individual Protein Muscarinic acetylcholine receptor M2 Sus scrofa EC50 = 436 nM 25192059
NPT2 Others Unspecified Ki > 100000 nM 25192059

  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 NPC320147 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
0.8951 High Similarity NPC475420
0.8795 High Similarity NPC473880
0.8571 High Similarity NPC473743
0.8389 Intermediate Similarity NPC162440
0.8352 Intermediate Similarity NPC285841
0.8343 Intermediate Similarity NPC476095
0.8198 Intermediate Similarity NPC475097
0.8075 Intermediate Similarity NPC329833
0.7931 Intermediate Similarity NPC214626
0.7931 Intermediate Similarity NPC251212
0.7931 Intermediate Similarity NPC139085
0.7598 Intermediate Similarity NPC260075
0.7545 Intermediate Similarity NPC264589
0.7514 Intermediate Similarity NPC286994
0.7458 Intermediate Similarity NPC475248
0.7458 Intermediate Similarity NPC63047
0.744 Intermediate Similarity NPC469735
0.7411 Intermediate Similarity NPC126066
0.7409 Intermediate Similarity NPC52801
0.738 Intermediate Similarity NPC22689
0.738 Intermediate Similarity NPC105055
0.7371 Intermediate Similarity NPC225319
0.7368 Intermediate Similarity NPC206592
0.733 Intermediate Similarity NPC99632
0.733 Intermediate Similarity NPC282339
0.7267 Intermediate Similarity NPC475763
0.7193 Intermediate Similarity NPC469740
0.7135 Intermediate Similarity NPC469741
0.7079 Intermediate Similarity NPC248117
0.7076 Intermediate Similarity NPC116519
0.7062 Intermediate Similarity NPC113946
0.7041 Intermediate Similarity NPC138830
0.7041 Intermediate Similarity NPC67904
0.7022 Intermediate Similarity NPC193410
0.698 Remote Similarity NPC475422
0.6973 Remote Similarity NPC203202
0.6973 Remote Similarity NPC264482
0.6966 Remote Similarity NPC61013
0.6957 Remote Similarity NPC96901
0.6941 Remote Similarity NPC186284
0.6941 Remote Similarity NPC22082
0.6882 Remote Similarity NPC243162
0.6881 Remote Similarity NPC87755
0.6878 Remote Similarity NPC256288
0.6868 Remote Similarity NPC472106
0.6851 Remote Similarity NPC472120
0.6851 Remote Similarity NPC472101
0.6842 Remote Similarity NPC2933
0.6823 Remote Similarity NPC229484
0.6816 Remote Similarity NPC477157
0.6816 Remote Similarity NPC477156
0.6806 Remote Similarity NPC259626
0.6796 Remote Similarity NPC475602
0.6793 Remote Similarity NPC224970
0.6793 Remote Similarity NPC167724
0.6793 Remote Similarity NPC223595
0.6788 Remote Similarity NPC292675
0.678 Remote Similarity NPC243756
0.6778 Remote Similarity NPC123241
0.6771 Remote Similarity NPC473615
0.6758 Remote Similarity NPC85651
0.6744 Remote Similarity NPC223242
0.672 Remote Similarity NPC321211
0.672 Remote Similarity NPC99043
0.672 Remote Similarity NPC6974
0.672 Remote Similarity NPC218594
0.6719 Remote Similarity NPC52262
0.6704 Remote Similarity NPC478076
0.6702 Remote Similarity NPC159963
0.6682 Remote Similarity NPC139373
0.6667 Remote Similarity NPC293458
0.6667 Remote Similarity NPC186669
0.665 Remote Similarity NPC473178
0.6648 Remote Similarity NPC472100
0.6648 Remote Similarity NPC36495
0.6636 Remote Similarity NPC131977
0.6633 Remote Similarity NPC470483
0.6633 Remote Similarity NPC25401
0.663 Remote Similarity NPC29285
0.6629 Remote Similarity NPC318086
0.6612 Remote Similarity NPC201424
0.6596 Remote Similarity NPC242269
0.6587 Remote Similarity NPC159815
0.6576 Remote Similarity NPC472117
0.6571 Remote Similarity NPC472027
0.6566 Remote Similarity NPC470485
0.6564 Remote Similarity NPC181928
0.6564 Remote Similarity NPC14994
0.6556 Remote Similarity NPC122106
0.6555 Remote Similarity NPC473757
0.6546 Remote Similarity NPC322621
0.6532 Remote Similarity NPC301501
0.6522 Remote Similarity NPC471946
0.6522 Remote Similarity NPC471951
0.6522 Remote Similarity NPC477158
0.6517 Remote Similarity NPC212799
0.6502 Remote Similarity NPC469450
0.6498 Remote Similarity NPC475258
0.6494 Remote Similarity NPC130251
0.6489 Remote Similarity NPC469915
0.648 Remote Similarity NPC473177
0.648 Remote Similarity NPC109787
0.648 Remote Similarity NPC21425
0.6476 Remote Similarity NPC473006
0.6474 Remote Similarity NPC329338
0.6474 Remote Similarity NPC469726
0.6471 Remote Similarity NPC279527
0.6471 Remote Similarity NPC473005
0.6471 Remote Similarity NPC214960
0.6452 Remote Similarity NPC475338
0.6452 Remote Similarity NPC909
0.645 Remote Similarity NPC221687
0.6448 Remote Similarity NPC469536
0.6444 Remote Similarity NPC469452
0.6444 Remote Similarity NPC469451
0.6441 Remote Similarity NPC311330
0.6432 Remote Similarity NPC474058
0.6432 Remote Similarity NPC309531
0.6432 Remote Similarity NPC472102
0.6429 Remote Similarity NPC145754
0.6425 Remote Similarity NPC477065
0.6421 Remote Similarity NPC476425
0.642 Remote Similarity NPC477155
0.641 Remote Similarity NPC97584
0.6409 Remote Similarity NPC66936
0.6409 Remote Similarity NPC154602
0.6398 Remote Similarity NPC176983
0.6398 Remote Similarity NPC286871
0.6393 Remote Similarity NPC473297
0.6388 Remote Similarity NPC329932
0.6382 Remote Similarity NPC276430
0.6378 Remote Similarity NPC307396
0.6378 Remote Similarity NPC276085
0.6377 Remote Similarity NPC477174
0.6372 Remote Similarity NPC10653
0.6372 Remote Similarity NPC318525
0.6368 Remote Similarity NPC34717
0.6364 Remote Similarity NPC475915
0.6349 Remote Similarity NPC33507
0.6343 Remote Similarity NPC471506
0.6324 Remote Similarity NPC222029
0.6316 Remote Similarity NPC471950
0.6316 Remote Similarity NPC472118
0.6316 Remote Similarity NPC471945
0.6305 Remote Similarity NPC90967
0.6304 Remote Similarity NPC161827
0.6296 Remote Similarity NPC472114
0.6296 Remote Similarity NPC472115
0.6293 Remote Similarity NPC127178
0.6293 Remote Similarity NPC476493
0.6271 Remote Similarity NPC301760
0.6269 Remote Similarity NPC56618
0.6269 Remote Similarity NPC476441
0.6262 Remote Similarity NPC471512
0.6257 Remote Similarity NPC255229
0.6257 Remote Similarity NPC81229
0.6256 Remote Similarity NPC97100
0.6256 Remote Similarity NPC473375
0.625 Remote Similarity NPC473298
0.6238 Remote Similarity NPC475259
0.6235 Remote Similarity NPC478079
0.6225 Remote Similarity NPC232130
0.622 Remote Similarity NPC477173
0.6214 Remote Similarity NPC475489
0.6203 Remote Similarity NPC63210
0.6203 Remote Similarity NPC148468
0.6203 Remote Similarity NPC243673
0.6203 Remote Similarity NPC97380
0.6203 Remote Similarity NPC310403
0.6203 Remote Similarity NPC263709
0.6202 Remote Similarity NPC477179
0.6201 Remote Similarity NPC469537
0.6198 Remote Similarity NPC126492
0.6196 Remote Similarity NPC285381
0.6193 Remote Similarity NPC472104
0.6193 Remote Similarity NPC19679
0.619 Remote Similarity NPC470488
0.6188 Remote Similarity NPC471386
0.6186 Remote Similarity NPC24594
0.6186 Remote Similarity NPC472122
0.6173 Remote Similarity NPC187827
0.6173 Remote Similarity NPC472105
0.6172 Remote Similarity NPC477181
0.6172 Remote Similarity NPC477178
0.6172 Remote Similarity NPC477180
0.6172 Remote Similarity NPC254850
0.6172 Remote Similarity NPC470484
0.6167 Remote Similarity NPC472103
0.6166 Remote Similarity NPC477185
0.6164 Remote Similarity NPC471564
0.6161 Remote Similarity NPC470491
0.6158 Remote Similarity NPC70172
0.6158 Remote Similarity NPC470069
0.6158 Remote Similarity NPC52059
0.6158 Remote Similarity NPC302001
0.6157 Remote Similarity NPC469722
0.6154 Remote Similarity NPC285941
0.6154 Remote Similarity NPC477187
0.6154 Remote Similarity NPC476326
0.6154 Remote Similarity NPC162730

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC320147 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
0.8171 Intermediate Similarity NPD8402 Approved
0.8171 Intermediate Similarity NPD8401 Approved
0.8171 Intermediate Similarity NPD8400 Approved
0.676 Remote Similarity NPD5743 Approved
0.676 Remote Similarity NPD5741 Approved
0.676 Remote Similarity NPD5742 Approved
0.6704 Remote Similarity NPD4120 Approved
0.6704 Remote Similarity NPD4121 Phase 3
0.6387 Remote Similarity NPD6316 Clinical (unspecified phase)
0.6382 Remote Similarity NPD8240 Discontinued
0.6348 Remote Similarity NPD7487 Discontinued
0.6333 Remote Similarity NPD7794 Clinical (unspecified phase)
0.6321 Remote Similarity NPD5600 Discontinued
0.6307 Remote Similarity NPD6606 Clinical (unspecified phase)
0.6287 Remote Similarity NPD3622 Clinical (unspecified phase)
0.6287 Remote Similarity NPD3623 Clinical (unspecified phase)
0.6269 Remote Similarity NPD6375 Clinical (unspecified phase)
0.6258 Remote Similarity NPD6070 Approved
0.6258 Remote Similarity NPD6069 Approved
0.625 Remote Similarity NPD6357 Discontinued
0.6237 Remote Similarity NPD8630 Approved
0.6226 Remote Similarity NPD4116 Approved
0.6226 Remote Similarity NPD7633 Discontinued
0.6224 Remote Similarity NPD7149 Clinical (unspecified phase)
0.6222 Remote Similarity NPD6622 Phase 1
0.6221 Remote Similarity NPD6489 Phase 3
0.6209 Remote Similarity NPD5881 Clinical (unspecified phase)
0.6209 Remote Similarity NPD4644 Clinical (unspecified phase)
0.6205 Remote Similarity NPD7479 Phase 2
0.6195 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6173 Remote Similarity NPD6879 Phase 2
0.6173 Remote Similarity NPD6878 Phase 2
0.6169 Remote Similarity NPD6281 Approved
0.6166 Remote Similarity NPD5997 Discontinued
0.6164 Remote Similarity NPD1721 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6025 Phase 1
0.6135 Remote Similarity NPD5629 Discontinued
0.6118 Remote Similarity NPD6320 Approved
0.6111 Remote Similarity NPD8281 Discontinued
0.6094 Remote Similarity NPD3983 Phase 3
0.6094 Remote Similarity NPD3984 Clinical (unspecified phase)
0.6087 Remote Similarity NPD6661 Clinical (unspecified phase)
0.6084 Remote Similarity NPD5657 Phase 3
0.6074 Remote Similarity NPD2913 Approved
0.6074 Remote Similarity NPD2914 Approved
0.6071 Remote Similarity NPD7824 Approved
0.607 Remote Similarity NPD8103 Clinical (unspecified phase)
0.6045 Remote Similarity NPD6102 Clinical (unspecified phase)
0.6042 Remote Similarity NPD8002 Clinical (unspecified phase)
0.6042 Remote Similarity NPD8003 Clinical (unspecified phase)
0.6 Remote Similarity NPD6789 Approved
0.5991 Remote Similarity NPD7790 Approved
0.5991 Remote Similarity NPD7952 Approved
0.5991 Remote Similarity NPD7950 Approved
0.5991 Remote Similarity NPD7791 Approved
0.5991 Remote Similarity NPD7953 Approved
0.5991 Remote Similarity NPD7789 Approved
0.5991 Remote Similarity NPD7951 Approved
0.599 Remote Similarity NPD4796 Discontinued
0.5989 Remote Similarity NPD6506 Clinical (unspecified phase)
0.5982 Remote Similarity NPD7731 Approved
0.5982 Remote Similarity NPD7730 Approved
0.5977 Remote Similarity NPD4365 Phase 2
0.597 Remote Similarity NPD7424 Clinical (unspecified phase)
0.5968 Remote Similarity NPD8353 Approved
0.5968 Remote Similarity NPD8355 Approved
0.5968 Remote Similarity NPD7606 Phase 3
0.5964 Remote Similarity NPD6976 Clinical (unspecified phase)
0.5964 Remote Similarity NPD7271 Approved
0.5959 Remote Similarity NPD6037 Discontinued
0.5956 Remote Similarity NPD7295 Approved
0.5956 Remote Similarity NPD5932 Phase 3
0.5956 Remote Similarity NPD5931 Phase 3
0.5956 Remote Similarity NPD7785 Clinical (unspecified phase)
0.5956 Remote Similarity NPD5933 Phase 3
0.5954 Remote Similarity NPD7247 Discontinued
0.5951 Remote Similarity NPD2039 Approved
0.5951 Remote Similarity NPD2038 Approved
0.595 Remote Similarity NPD5522 Clinical (unspecified phase)
0.5939 Remote Similarity NPD4498 Clinical (unspecified phase)
0.5936 Remote Similarity NPD814 Clinical (unspecified phase)
0.5932 Remote Similarity NPD5184 Approved
0.5932 Remote Similarity NPD5182 Approved
0.5932 Remote Similarity NPD5185 Approved
0.593 Remote Similarity NPD8464 Clinical (unspecified phase)
0.5926 Remote Similarity NPD2326 Approved
0.5922 Remote Similarity NPD3864 Clinical (unspecified phase)
0.5922 Remote Similarity NPD7262 Phase 1
0.5916 Remote Similarity NPD6524 Clinical (unspecified phase)
0.5915 Remote Similarity NPD8358 Approved
0.5914 Remote Similarity NPD1405 Approved
0.5911 Remote Similarity NPD6978 Phase 2
0.5911 Remote Similarity NPD6977 Clinical (unspecified phase)
0.5907 Remote Similarity NPD7591 Clinical (unspecified phase)
0.5904 Remote Similarity NPD8354 Approved
0.5902 Remote Similarity NPD6656 Clinical (unspecified phase)
0.5901 Remote Similarity NPD4114 Approved
0.5901 Remote Similarity NPD4115 Approved
0.5895 Remote Similarity NPD5715 Clinical (unspecified phase)
0.5895 Remote Similarity NPD7735 Clinical (unspecified phase)
0.5892 Remote Similarity NPD7478 Approved
0.5888 Remote Similarity NPD7940 Phase 3
0.5885 Remote Similarity NPD19 Approved
0.5885 Remote Similarity NPD1742 Approved
0.5885 Remote Similarity NPD1743 Approved
0.5882 Remote Similarity NPD6455 Phase 3
0.5879 Remote Similarity NPD5180 Approved
0.5879 Remote Similarity NPD7881 Approved
0.5879 Remote Similarity NPD5181 Approved
0.5879 Remote Similarity NPD5179 Approved
0.5879 Remote Similarity NPD5900 Clinical (unspecified phase)
0.5871 Remote Similarity NPD7252 Clinical (unspecified phase)
0.5871 Remote Similarity NPD8658 Clinical (unspecified phase)
0.5864 Remote Similarity NPD7599 Phase 2
0.5859 Remote Similarity NPD5104 Approved
0.5856 Remote Similarity NPD6717 Clinical (unspecified phase)
0.5856 Remote Similarity NPD6522 Clinical (unspecified phase)
0.5849 Remote Similarity NPD5721 Clinical (unspecified phase)
0.5848 Remote Similarity NPD4775 Clinical (unspecified phase)
0.5847 Remote Similarity NPD7082 Approved
0.5847 Remote Similarity NPD4430 Phase 2
0.5846 Remote Similarity NPD7890 Discontinued
0.5846 Remote Similarity NPD4986 Clinical (unspecified phase)
0.5843 Remote Similarity NPD5631 Phase 3
0.5842 Remote Similarity NPD7877 Suspended
0.5839 Remote Similarity NPD3545 Approved
0.5839 Remote Similarity NPD3546 Approved
0.5838 Remote Similarity NPD5136 Clinical (unspecified phase)
0.5833 Remote Similarity NPD5318 Discontinued
0.5833 Remote Similarity NPD7600 Phase 2
0.5829 Remote Similarity NPD5521 Clinical (unspecified phase)
0.5825 Remote Similarity NPD5913 Phase 3
0.5825 Remote Similarity NPD5912 Clinical (unspecified phase)
0.5825 Remote Similarity NPD5744 Clinical (unspecified phase)
0.5815 Remote Similarity NPD7259 Approved
0.5815 Remote Similarity NPD2387 Approved
0.5812 Remote Similarity NPD8060 Phase 1
0.5805 Remote Similarity NPD6900 Discontinued
0.5802 Remote Similarity NPD5253 Approved
0.5792 Remote Similarity NPD6566 Discontinued
0.5787 Remote Similarity NPD6740 Clinical (unspecified phase)
0.5787 Remote Similarity NPD1078 Clinical (unspecified phase)
0.5787 Remote Similarity NPD3975 Discontinued
0.5787 Remote Similarity NPD5680 Clinical (unspecified phase)
0.5782 Remote Similarity NPD4118 Clinical (unspecified phase)
0.5781 Remote Similarity NPD6060 Clinical (unspecified phase)
0.5777 Remote Similarity NPD4499 Approved
0.5763 Remote Similarity NPD7921 Approved
0.5761 Remote Similarity NPD5527 Clinical (unspecified phase)
0.5761 Remote Similarity NPD5526 Phase 2
0.5761 Remote Similarity NPD6301 Phase 2
0.5758 Remote Similarity NPD4571 Approved
0.5758 Remote Similarity NPD7854 Phase 2
0.5758 Remote Similarity NPD4572 Approved
0.5758 Remote Similarity NPD6607 Clinical (unspecified phase)
0.5758 Remote Similarity NPD4573 Approved
0.5758 Remote Similarity NPD6365 Clinical (unspecified phase)
0.5754 Remote Similarity NPD7200 Approved
0.575 Remote Similarity NPD8006 Clinical (unspecified phase)
0.5747 Remote Similarity NPD8128 Discontinued
0.5746 Remote Similarity NPD6358 Phase 2
0.5742 Remote Similarity NPD6861 Clinical (unspecified phase)
0.5738 Remote Similarity NPD5518 Clinical (unspecified phase)
0.5736 Remote Similarity NPD5531 Discontinued
0.5735 Remote Similarity NPD6610 Clinical (unspecified phase)
0.5735 Remote Similarity NPD6021 Clinical (unspecified phase)
0.5735 Remote Similarity NPD6227 Discontinued
0.573 Remote Similarity NPD7099 Approved
0.5729 Remote Similarity NPD5602 Clinical (unspecified phase)
0.5729 Remote Similarity NPD5938 Phase 3
0.5729 Remote Similarity NPD5919 Clinical (unspecified phase)
0.5728 Remote Similarity NPD8025 Phase 2
0.5726 Remote Similarity NPD8016 Phase 3
0.5726 Remote Similarity NPD8017 Clinical (unspecified phase)
0.5723 Remote Similarity NPD7250 Approved
0.5723 Remote Similarity NPD7249 Approved
0.5714 Remote Similarity NPD2622 Approved
0.5714 Remote Similarity NPD3329 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3240 Phase 2
0.5706 Remote Similarity NPD8263 Discontinued
0.5701 Remote Similarity NPD7073 Clinical (unspecified phase)
0.57 Remote Similarity NPD8063 Discontinued
0.57 Remote Similarity NPD5758 Clinical (unspecified phase)
0.5699 Remote Similarity NPD6738 Phase 2
0.5699 Remote Similarity NPD5595 Clinical (unspecified phase)
0.5699 Remote Similarity NPD6737 Phase 2
0.5699 Remote Similarity NPD7114 Clinical (unspecified phase)
0.5698 Remote Similarity NPD5579 Approved
0.5698 Remote Similarity NPD5576 Approved
0.5693 Remote Similarity NPD6293 Clinical (unspecified phase)
0.5693 Remote Similarity NPD6833 Clinical (unspecified phase)
0.5692 Remote Similarity NPD3789 Approved
0.5692 Remote Similarity NPD7734 Approved
0.5687 Remote Similarity NPD4735 Approved
0.5687 Remote Similarity NPD7238 Clinical (unspecified phase)
0.5687 Remote Similarity NPD6284 Clinical (unspecified phase)
0.5687 Remote Similarity NPD7572 Phase 2
0.5687 Remote Similarity NPD4734 Approved
0.5685 Remote Similarity NPD6379 Discontinued
0.5685 Remote Similarity NPD7580 Phase 3

Structure

External Identifiers

PubChem CID   168927
ChEMBL   CHEMBL380352
ZINC  

Physicochemical Properties

Molecular Weight:  584.32
ALogP:  0.0234
MLogP:  4.98
XLogP:  4.498
# Rotatable Bonds:  0
Polar Surface Area:  31.42
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  13
# Heavy Atoms:  44

Download Data

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Biological Activities  
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