Natural Product: NPC241879

Natural Product ID:  NPC241879
Common Name:   Cyclonataminol
IUPAC Name:  
Synonyms:   Cyclonataminol
Molecular Formula:   C28H48N2O2
Standard InCHIKey:  KQPMIGNYSJUHRD-VQKBPVDWSA-N
Standard InCHI:  InChI=1S/C28H48N2O2/c1-17(29(6)7)22-18(31)14-26(5)21-11-10-20-24(2,3)23(30(8)9)19(32)15-28(20)16-27(21,28)13-12-25(22,26)4/h10-11,17-23,31-32H,12-16H2,1-9H3/t17-,18+,19+,20-,21-,22-,23-,25+,26-,27-,28+/m0/s1
Canonical SMILES:  CN([C@H]([C@H]1[C@H](O)C[C@@]2([C@]1(C)CC[C@@]13[C@H]2C=C[C@@H]2[C@]3(C1)C[C@@H](O)[C@@H](C2(C)C)N(C)C)C)C)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
NPO26132 Buxus natalensis Species Buxaceae Eukaryota uMhalanga Rocks nature reserve, Durban, South Africa 2007-FEB PMID[20954721]
NPO4617 Tanacetum cinerariifolium Species Asteraceae Eukaryota UNPD*
NPO26132 Buxus natalensis Species Buxaceae Eukaryota bark PMID[20954721]
NPO27700 Alphitonia excelsa Species Rhamnaceae Eukaryota UNPD*
NPO5507 Eubotryoides grayana Species Ericaceae Eukaryota UNPD*
NPO27999 Aconitum nagarum Species Ranunculaceae Eukaryota UNPD*
NPO27615 Ambrosia deltoidea Species Asteraceae Eukaryota UNPD*
NPO27255 Macaranga alnifolia Species Euphorbiaceae Eukaryota UNPD*
NPO27765 Bryopsis plumosa Species Bryopsidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 22900 nM 20954721

  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 NPC241879 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
0.8969 High Similarity NPC476903
0.8515 High Similarity NPC135799
0.83 Intermediate Similarity NPC311164
0.83 Intermediate Similarity NPC272732
0.8173 Intermediate Similarity NPC471083
0.8037 Intermediate Similarity NPC25340
0.7963 Intermediate Similarity NPC159367
0.7905 Intermediate Similarity NPC118275
0.7864 Intermediate Similarity NPC289140
0.7838 Intermediate Similarity NPC56796
0.783 Intermediate Similarity NPC50815
0.7788 Intermediate Similarity NPC140300
0.7778 Intermediate Similarity NPC55462
0.7757 Intermediate Similarity NPC474583
0.7755 Intermediate Similarity NPC75810
0.7664 Intermediate Similarity NPC176012
0.7664 Intermediate Similarity NPC247060
0.7658 Intermediate Similarity NPC472359
0.7547 Intermediate Similarity NPC91604
0.7523 Intermediate Similarity NPC212874
0.75 Intermediate Similarity NPC476755
0.7453 Intermediate Similarity NPC474164
0.7426 Intermediate Similarity NPC21035
0.7387 Intermediate Similarity NPC46981
0.7364 Intermediate Similarity NPC475239
0.732 Intermediate Similarity NPC1319
0.7315 Intermediate Similarity NPC275686
0.7304 Intermediate Similarity NPC478137
0.7297 Intermediate Similarity NPC86906
0.729 Intermediate Similarity NPC240650
0.7238 Intermediate Similarity NPC93027
0.7216 Intermediate Similarity NPC477522
0.7188 Intermediate Similarity NPC134330
0.7188 Intermediate Similarity NPC129165
0.717 Intermediate Similarity NPC280710
0.717 Intermediate Similarity NPC243985
0.7168 Intermediate Similarity NPC470595
0.713 Intermediate Similarity NPC474459
0.7117 Intermediate Similarity NPC98765
0.7117 Intermediate Similarity NPC90538
0.7113 Intermediate Similarity NPC34019
0.7105 Intermediate Similarity NPC95920
0.7105 Intermediate Similarity NPC253645
0.7105 Intermediate Similarity NPC147835
0.7105 Intermediate Similarity NPC85001
0.7083 Intermediate Similarity NPC257347
0.7083 Intermediate Similarity NPC471723
0.7083 Intermediate Similarity NPC141071
0.708 Intermediate Similarity NPC476756
0.708 Intermediate Similarity NPC244982
0.7071 Intermediate Similarity NPC26117
0.7069 Intermediate Similarity NPC474452
0.7069 Intermediate Similarity NPC469968
0.7069 Intermediate Similarity NPC80834
0.7059 Intermediate Similarity NPC318390
0.7048 Intermediate Similarity NPC84171
0.7043 Intermediate Similarity NPC472313
0.7041 Intermediate Similarity NPC302041
0.7041 Intermediate Similarity NPC65897
0.7041 Intermediate Similarity NPC477514
0.7041 Intermediate Similarity NPC85346
0.703 Intermediate Similarity NPC82623
0.703 Intermediate Similarity NPC134481
0.703 Intermediate Similarity NPC477818
0.703 Intermediate Similarity NPC141941
0.703 Intermediate Similarity NPC193870
0.7025 Intermediate Similarity NPC242692
0.701 Intermediate Similarity NPC321381
0.701 Intermediate Similarity NPC113733
0.701 Intermediate Similarity NPC107059
0.701 Intermediate Similarity NPC189883
0.701 Intermediate Similarity NPC321016
0.701 Intermediate Similarity NPC470362
0.701 Intermediate Similarity NPC96319
0.7 Intermediate Similarity NPC109533
0.6983 Remote Similarity NPC79238
0.697 Remote Similarity NPC30986
0.697 Remote Similarity NPC209430
0.6964 Remote Similarity NPC45365
0.6964 Remote Similarity NPC293299
0.6961 Remote Similarity NPC475798
0.6961 Remote Similarity NPC127606
0.6961 Remote Similarity NPC209802
0.6961 Remote Similarity NPC124172
0.6939 Remote Similarity NPC155986
0.6939 Remote Similarity NPC214570
0.6939 Remote Similarity NPC318495
0.6939 Remote Similarity NPC198968
0.6931 Remote Similarity NPC201852
0.6931 Remote Similarity NPC470614
0.6931 Remote Similarity NPC20853
0.6931 Remote Similarity NPC1272
0.693 Remote Similarity NPC169375
0.6917 Remote Similarity NPC474006
0.6907 Remote Similarity NPC28657
0.6907 Remote Similarity NPC230301
0.6907 Remote Similarity NPC285893
0.6907 Remote Similarity NPC304309
0.6907 Remote Similarity NPC288035
0.6907 Remote Similarity NPC134847
0.6907 Remote Similarity NPC22105
0.6907 Remote Similarity NPC162742
0.6907 Remote Similarity NPC136188
0.6903 Remote Similarity NPC470596
0.69 Remote Similarity NPC236112
0.69 Remote Similarity NPC164840
0.69 Remote Similarity NPC234193
0.69 Remote Similarity NPC209944
0.69 Remote Similarity NPC241290
0.6897 Remote Similarity NPC287764
0.6893 Remote Similarity NPC474189
0.6893 Remote Similarity NPC22133
0.6893 Remote Similarity NPC474349
0.6891 Remote Similarity NPC28280
0.6891 Remote Similarity NPC304646
0.6869 Remote Similarity NPC138621
0.6869 Remote Similarity NPC244385
0.6869 Remote Similarity NPC473943
0.6869 Remote Similarity NPC6978
0.6869 Remote Similarity NPC285761
0.6869 Remote Similarity NPC76931
0.6869 Remote Similarity NPC87604
0.6869 Remote Similarity NPC474216
0.6869 Remote Similarity NPC167037
0.6869 Remote Similarity NPC18603
0.6869 Remote Similarity NPC275910
0.6869 Remote Similarity NPC307965
0.6869 Remote Similarity NPC312328
0.6863 Remote Similarity NPC113978
0.6863 Remote Similarity NPC110778
0.6842 Remote Similarity NPC36497
0.6837 Remote Similarity NPC73875
0.6837 Remote Similarity NPC46160
0.6837 Remote Similarity NPC240604
0.6837 Remote Similarity NPC300324
0.6837 Remote Similarity NPC237460
0.6837 Remote Similarity NPC202642
0.6832 Remote Similarity NPC474531
0.6832 Remote Similarity NPC47761
0.6832 Remote Similarity NPC264245
0.6829 Remote Similarity NPC472458
0.6827 Remote Similarity NPC24277
0.6827 Remote Similarity NPC139724
0.6827 Remote Similarity NPC94462
0.6827 Remote Similarity NPC6605
0.6818 Remote Similarity NPC292819
0.6804 Remote Similarity NPC476904
0.68 Remote Similarity NPC328714
0.68 Remote Similarity NPC47982
0.68 Remote Similarity NPC273410
0.68 Remote Similarity NPC84694
0.68 Remote Similarity NPC28862
0.68 Remote Similarity NPC81306
0.68 Remote Similarity NPC109546
0.68 Remote Similarity NPC80530
0.68 Remote Similarity NPC143182
0.6796 Remote Similarity NPC470077
0.6796 Remote Similarity NPC474047
0.6771 Remote Similarity NPC21773
0.6765 Remote Similarity NPC30166
0.6765 Remote Similarity NPC218616
0.6765 Remote Similarity NPC470049
0.6765 Remote Similarity NPC296701
0.6765 Remote Similarity NPC87489
0.6765 Remote Similarity NPC49964
0.6765 Remote Similarity NPC50964
0.6762 Remote Similarity NPC186145
0.6762 Remote Similarity NPC474657
0.675 Remote Similarity NPC165396
0.6735 Remote Similarity NPC103822
0.6735 Remote Similarity NPC70982
0.6735 Remote Similarity NPC121744
0.6735 Remote Similarity NPC322353
0.6735 Remote Similarity NPC230704
0.6735 Remote Similarity NPC118508
0.6733 Remote Similarity NPC13554
0.6733 Remote Similarity NPC102253
0.6733 Remote Similarity NPC322313
0.6733 Remote Similarity NPC236237
0.6731 Remote Similarity NPC470360
0.6701 Remote Similarity NPC182717
0.6701 Remote Similarity NPC471799
0.6701 Remote Similarity NPC474140
0.6701 Remote Similarity NPC195489
0.67 Remote Similarity NPC205455
0.67 Remote Similarity NPC186191
0.6699 Remote Similarity NPC470558
0.6699 Remote Similarity NPC317458
0.6699 Remote Similarity NPC475789
0.6698 Remote Similarity NPC470542
0.6698 Remote Similarity NPC475664
0.6694 Remote Similarity NPC478138
0.6667 Remote Similarity NPC247325
0.6667 Remote Similarity NPC71520
0.6667 Remote Similarity NPC299068
0.6667 Remote Similarity NPC473254
0.6667 Remote Similarity NPC474731
0.6667 Remote Similarity NPC474759
0.6667 Remote Similarity NPC474683
0.6667 Remote Similarity NPC7505

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC241879 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
0.7034 Intermediate Similarity NPD7755 Approved
0.7034 Intermediate Similarity NPD7754 Approved
0.701 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD5771 Approved
0.6907 Remote Similarity NPD7339 Approved
0.6907 Remote Similarity NPD6942 Approved
0.6733 Remote Similarity NPD7525 Registered
0.6639 Remote Similarity NPD8078 Approved
0.6639 Remote Similarity NPD8077 Approved
0.6638 Remote Similarity NPD7646 Clinical (unspecified phase)
0.6633 Remote Similarity NPD4785 Approved
0.6633 Remote Similarity NPD4784 Approved
0.6598 Remote Similarity NPD4243 Approved
0.648 Remote Similarity NPD6909 Approved
0.648 Remote Similarity NPD6908 Approved
0.6476 Remote Similarity NPD4786 Approved
0.6449 Remote Similarity NPD4751 Clinical (unspecified phase)
0.641 Remote Similarity NPD6920 Discontinued
0.6408 Remote Similarity NPD4748 Discontinued
0.6372 Remote Similarity NPD7919 Phase 3
0.6372 Remote Similarity NPD7920 Phase 3
0.6364 Remote Similarity NPD7335 Phase 2
0.6364 Remote Similarity NPD7336 Phase 2
0.6364 Remote Similarity NPD7337 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6079 Approved
0.633 Remote Similarity NPD5328 Approved
0.6321 Remote Similarity NPD3665 Phase 1
0.6321 Remote Similarity NPD3133 Approved
0.6321 Remote Similarity NPD3666 Approved
0.6316 Remote Similarity NPD8088 Phase 1
0.6311 Remote Similarity NPD4195 Approved
0.6311 Remote Similarity NPD7645 Phase 2
0.6306 Remote Similarity NPD4202 Approved
0.6303 Remote Similarity NPD6415 Discontinued
0.63 Remote Similarity NPD6926 Approved
0.63 Remote Similarity NPD6924 Approved
0.6286 Remote Similarity NPD3667 Approved
0.6283 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6263 Remote Similarity NPD7150 Approved
0.6263 Remote Similarity NPD7151 Approved
0.6263 Remote Similarity NPD7152 Approved
0.6239 Remote Similarity NPD7911 Approved
0.6239 Remote Similarity NPD4723 Approved
0.6239 Remote Similarity NPD7912 Approved
0.6239 Remote Similarity NPD4722 Approved
0.6239 Remote Similarity NPD7986 Approved
0.6239 Remote Similarity NPD7987 Approved
0.6238 Remote Similarity NPD4190 Phase 3
0.6238 Remote Similarity NPD5275 Approved
0.6204 Remote Similarity NPD3618 Phase 1
0.6195 Remote Similarity NPD7991 Discontinued
0.6176 Remote Similarity NPD6933 Approved
0.6162 Remote Similarity NPD7143 Approved
0.6162 Remote Similarity NPD7144 Approved
0.6134 Remote Similarity NPD7333 Discontinued
0.6134 Remote Similarity NPD8040 Discontinued
0.6121 Remote Similarity NPD4696 Approved
0.6121 Remote Similarity NPD5285 Approved
0.6121 Remote Similarity NPD5286 Approved
0.6106 Remote Similarity NPD5769 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4755 Approved
0.6083 Remote Similarity NPD7989 Approved
0.6083 Remote Similarity NPD7990 Approved
0.6068 Remote Similarity NPD5223 Approved
0.6061 Remote Similarity NPD6922 Approved
0.6061 Remote Similarity NPD6923 Approved
0.6048 Remote Similarity NPD8298 Phase 2
0.6038 Remote Similarity NPD6902 Approved
0.6036 Remote Similarity NPD4753 Phase 2
0.6017 Remote Similarity NPD5225 Approved
0.6017 Remote Similarity NPD5226 Approved
0.6017 Remote Similarity NPD4633 Approved
0.6017 Remote Similarity NPD5224 Approved
0.6017 Remote Similarity NPD5211 Phase 2
0.6 Remote Similarity NPD8449 Approved
0.6 Remote Similarity NPD5222 Approved
0.6 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6 Remote Similarity NPD6929 Approved
0.6 Remote Similarity NPD5221 Approved
0.5983 Remote Similarity NPD4700 Approved
0.5981 Remote Similarity NPD4223 Phase 3
0.5981 Remote Similarity NPD4221 Approved
0.5966 Remote Similarity NPD5174 Approved
0.5966 Remote Similarity NPD5175 Approved
0.5963 Remote Similarity NPD5329 Approved
0.5962 Remote Similarity NPD6932 Approved
0.5956 Remote Similarity NPD8450 Suspended
0.5948 Remote Similarity NPD5173 Approved
0.5943 Remote Similarity NPD6931 Approved
0.5943 Remote Similarity NPD7509 Discontinued
0.5943 Remote Similarity NPD6930 Phase 2
0.5938 Remote Similarity NPD7522 Discontinued
0.5932 Remote Similarity NPD4159 Approved
0.5917 Remote Similarity NPD5141 Approved
0.5913 Remote Similarity NPD5210 Approved
0.5913 Remote Similarity NPD4629 Approved
0.5909 Remote Similarity NPD8308 Discontinued
0.5905 Remote Similarity NPD7145 Approved
0.5902 Remote Similarity NPD6881 Approved
0.5902 Remote Similarity NPD6899 Approved
0.5878 Remote Similarity NPD7604 Phase 2
0.5877 Remote Similarity NPD6399 Phase 3
0.5872 Remote Similarity NPD4197 Approved
0.5868 Remote Similarity NPD7128 Approved
0.5868 Remote Similarity NPD6402 Approved
0.5868 Remote Similarity NPD6675 Approved
0.5868 Remote Similarity NPD5739 Approved
0.5862 Remote Similarity NPD4697 Phase 3
0.5847 Remote Similarity NPD8418 Phase 2
0.5842 Remote Similarity NPD4787 Phase 1
0.5833 Remote Similarity NPD4754 Approved
0.582 Remote Similarity NPD5697 Approved
0.5818 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5812 Remote Similarity NPD6084 Phase 2
0.5812 Remote Similarity NPD6083 Phase 2
0.581 Remote Similarity NPD5776 Phase 2
0.581 Remote Similarity NPD6925 Approved
0.5806 Remote Similarity NPD7102 Approved
0.5806 Remote Similarity NPD6420 Discontinued
0.5806 Remote Similarity NPD7290 Approved
0.5806 Remote Similarity NPD6883 Approved
0.5794 Remote Similarity NPD7514 Phase 3
0.578 Remote Similarity NPD4788 Approved
0.578 Remote Similarity NPD6695 Phase 3
0.5772 Remote Similarity NPD4730 Approved
0.5772 Remote Similarity NPD7320 Approved
0.5772 Remote Similarity NPD6011 Approved
0.5772 Remote Similarity NPD4729 Approved
0.5769 Remote Similarity NPD8264 Approved
0.5766 Remote Similarity NPD5279 Phase 3
0.5766 Remote Similarity NPD4688 Approved
0.5766 Remote Similarity NPD7521 Approved
0.5766 Remote Similarity NPD5205 Approved
0.5766 Remote Similarity NPD4690 Approved
0.5766 Remote Similarity NPD7334 Approved
0.5766 Remote Similarity NPD6684 Approved
0.5766 Remote Similarity NPD4693 Phase 3
0.5766 Remote Similarity NPD6409 Approved
0.5766 Remote Similarity NPD4689 Approved
0.5766 Remote Similarity NPD4138 Approved
0.5766 Remote Similarity NPD5330 Approved
0.5766 Remote Similarity NPD7146 Approved
0.5766 Remote Similarity NPD5690 Phase 2
0.5763 Remote Similarity NPD5290 Discontinued
0.5763 Remote Similarity NPD7638 Approved
0.576 Remote Similarity NPD6650 Approved
0.576 Remote Similarity NPD6869 Approved
0.576 Remote Similarity NPD8130 Phase 1
0.576 Remote Similarity NPD6649 Approved
0.576 Remote Similarity NPD6847 Approved
0.576 Remote Similarity NPD6617 Approved
0.5755 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5752 Remote Similarity NPD6051 Approved
0.5738 Remote Similarity NPD4767 Approved
0.5738 Remote Similarity NPD4768 Approved
0.5727 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5727 Remote Similarity NPD3668 Phase 3
0.5726 Remote Similarity NPD6014 Approved
0.5726 Remote Similarity NPD6013 Approved
0.5726 Remote Similarity NPD6372 Approved
0.5726 Remote Similarity NPD6012 Approved
0.5726 Remote Similarity NPD6373 Approved
0.5714 Remote Similarity NPD8297 Approved
0.5714 Remote Similarity NPD7639 Approved
0.5714 Remote Similarity NPD7640 Approved
0.5714 Remote Similarity NPD6882 Approved
0.5702 Remote Similarity NPD4096 Approved
0.5702 Remote Similarity NPD4001 Clinical (unspecified phase)
0.5701 Remote Similarity NPD6683 Phase 2
0.5691 Remote Similarity NPD5701 Approved
0.569 Remote Similarity NPD5707 Approved
0.568 Remote Similarity NPD5249 Phase 3
0.568 Remote Similarity NPD4634 Approved
0.568 Remote Similarity NPD5247 Approved
0.568 Remote Similarity NPD5248 Approved
0.568 Remote Similarity NPD5251 Approved
0.568 Remote Similarity NPD5134 Clinical (unspecified phase)
0.568 Remote Similarity NPD5250 Approved
0.568 Remote Similarity NPD5169 Approved
0.568 Remote Similarity NPD5135 Approved
0.5676 Remote Similarity NPD6893 Approved
0.5674 Remote Similarity NPD6334 Approved
0.5674 Remote Similarity NPD6333 Approved
0.5664 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5664 Remote Similarity NPD6903 Approved
0.5652 Remote Similarity NPD7515 Phase 2
0.5648 Remote Similarity NPD7332 Phase 2
0.5646 Remote Similarity NPD8131 Suspended
0.5645 Remote Similarity NPD5128 Approved
0.5641 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5635 Remote Similarity NPD5127 Approved
0.5635 Remote Similarity NPD5217 Approved
0.5635 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5635 Remote Similarity NPD5215 Approved
0.5635 Remote Similarity NPD5216 Approved
0.5625 Remote Similarity NPD4694 Approved
0.5625 Remote Similarity NPD5280 Approved
0.562 Remote Similarity NPD4719 Phase 2
0.5616 Remote Similarity NPD3638 Discontinued
0.5603 Remote Similarity NPD5781 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   53316925
ChEMBL   CHEMBL1651044
ZINC  

Physicochemical Properties

Molecular Weight:  444.37
ALogP:  0.9482
MLogP:  4.1
XLogP:  5.308
# Rotatable Bonds:  14
Polar Surface Area:  46.94
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  32

Download Data

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