Natural Product: NPC75523

Natural Product ID:  NPC75523
Common Name:   Securinega Amamine D
IUPAC Name:  
Synonyms:   Securinega Amamine D
Molecular Formula:   C14H17NO4
Standard InCHIKey:  RYGVDBGZIQLYCQ-OPDFLTKYSA-N
Standard InCHI:  InChI=1S/C14H17NO4/c1-17-10-4-5-15-12(7-10)14-8-11(19-15)3-2-9(14)6-13(16)18-14/h2-3,6,10-12H,4-5,7-8H2,1H3/t10-,11+,12-,14-/m0/s1
Canonical SMILES:  CO[C@H]1CCN2[C@@H](C1)[C@]13OC(=O)C=C3C=C[C@@H](O2)C1
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
NPO19434.1 Securinega suffruticosa Under-species NA NA wood PMID[18052029]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 > 5 ug/ml 23394318
NPT137 Cell Line L1210 Mus musculus IC50 > 5 ug/ml PubChem BioAssay data set

  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 NPC75523 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
0.9479 High Similarity NPC270813
0.8095 Intermediate Similarity NPC473289
0.7921 Intermediate Similarity NPC110875
0.7921 Intermediate Similarity NPC299808
0.7921 Intermediate Similarity NPC118844
0.7921 Intermediate Similarity NPC72183
0.7706 Intermediate Similarity NPC93179
0.7615 Intermediate Similarity NPC44514
0.6917 Remote Similarity NPC469997
0.6909 Remote Similarity NPC241426
0.6864 Remote Similarity NPC43648
0.6842 Remote Similarity NPC477000
0.6842 Remote Similarity NPC477001
0.6842 Remote Similarity NPC133420
0.6746 Remote Similarity NPC477987
0.6746 Remote Similarity NPC329401
0.6694 Remote Similarity NPC470000
0.6667 Remote Similarity NPC287572
0.6667 Remote Similarity NPC471636
0.6639 Remote Similarity NPC29501
0.6639 Remote Similarity NPC65045
0.6566 Remote Similarity NPC470994
0.6538 Remote Similarity NPC477988
0.6512 Remote Similarity NPC478136
0.6496 Remote Similarity NPC101106
0.6496 Remote Similarity NPC135216
0.6475 Remote Similarity NPC474984
0.6471 Remote Similarity NPC474891
0.6446 Remote Similarity NPC474995
0.6441 Remote Similarity NPC250187
0.6417 Remote Similarity NPC122926
0.6417 Remote Similarity NPC113012
0.64 Remote Similarity NPC138534
0.64 Remote Similarity NPC477986
0.6387 Remote Similarity NPC474969
0.6387 Remote Similarity NPC476034
0.6325 Remote Similarity NPC173690
0.6325 Remote Similarity NPC80439
0.6325 Remote Similarity NPC279833
0.6325 Remote Similarity NPC6271
0.632 Remote Similarity NPC174463
0.6311 Remote Similarity NPC295444
0.6311 Remote Similarity NPC273215
0.6311 Remote Similarity NPC279383
0.6311 Remote Similarity NPC268327
0.6293 Remote Similarity NPC474873
0.629 Remote Similarity NPC477554
0.6281 Remote Similarity NPC127578
0.6279 Remote Similarity NPC469999
0.6271 Remote Similarity NPC64168
0.626 Remote Similarity NPC475988
0.626 Remote Similarity NPC478137
0.624 Remote Similarity NPC477553
0.623 Remote Similarity NPC58281
0.622 Remote Similarity NPC230849
0.6218 Remote Similarity NPC472856
0.6202 Remote Similarity NPC323168
0.6202 Remote Similarity NPC293550
0.6202 Remote Similarity NPC477989
0.6202 Remote Similarity NPC477990
0.6202 Remote Similarity NPC111162
0.619 Remote Similarity NPC477555
0.619 Remote Similarity NPC284656
0.6183 Remote Similarity NPC314282
0.6183 Remote Similarity NPC96010
0.6183 Remote Similarity NPC317654
0.6174 Remote Similarity NPC476344
0.6168 Remote Similarity NPC474809
0.616 Remote Similarity NPC28280
0.616 Remote Similarity NPC172197
0.616 Remote Similarity NPC274293
0.616 Remote Similarity NPC304646
0.6154 Remote Similarity NPC326386
0.6154 Remote Similarity NPC471087
0.6154 Remote Similarity NPC144714
0.6154 Remote Similarity NPC477985
0.6154 Remote Similarity NPC100810
0.6147 Remote Similarity NPC130436
0.6147 Remote Similarity NPC469860
0.6147 Remote Similarity NPC469861
0.614 Remote Similarity NPC150041
0.6139 Remote Similarity NPC16349
0.6139 Remote Similarity NPC222244
0.6136 Remote Similarity NPC173173
0.6129 Remote Similarity NPC130124
0.6129 Remote Similarity NPC193471
0.6102 Remote Similarity NPC474244
0.6098 Remote Similarity NPC168758
0.6098 Remote Similarity NPC316984
0.6098 Remote Similarity NPC30911
0.6098 Remote Similarity NPC181510
0.6098 Remote Similarity NPC47857
0.6094 Remote Similarity NPC11379
0.6091 Remote Similarity NPC199382
0.609 Remote Similarity NPC315387
0.609 Remote Similarity NPC316205
0.6087 Remote Similarity NPC175614
0.6082 Remote Similarity NPC182794
0.6063 Remote Similarity NPC201889
0.6063 Remote Similarity NPC235625
0.6063 Remote Similarity NPC106791
0.6047 Remote Similarity NPC23963
0.6038 Remote Similarity NPC268827
0.6034 Remote Similarity NPC4834
0.6034 Remote Similarity NPC52820
0.6034 Remote Similarity NPC91036
0.6034 Remote Similarity NPC472167
0.6033 Remote Similarity NPC271562
0.6031 Remote Similarity NPC314451
0.6031 Remote Similarity NPC314512
0.6031 Remote Similarity NPC313333
0.6031 Remote Similarity NPC313342
0.6018 Remote Similarity NPC476075
0.6018 Remote Similarity NPC206679
0.6018 Remote Similarity NPC114172
0.6018 Remote Similarity NPC471324
0.6018 Remote Similarity NPC476084
0.6017 Remote Similarity NPC314792
0.6017 Remote Similarity NPC175531
0.6015 Remote Similarity NPC471086
0.6 Remote Similarity NPC316401
0.6 Remote Similarity NPC232812
0.6 Remote Similarity NPC469604
0.5985 Remote Similarity NPC99864
0.5984 Remote Similarity NPC470072
0.5981 Remote Similarity NPC473339
0.5981 Remote Similarity NPC475944
0.5981 Remote Similarity NPC471552
0.5965 Remote Similarity NPC109406
0.5965 Remote Similarity NPC159092
0.5962 Remote Similarity NPC301525
0.596 Remote Similarity NPC472266
0.5954 Remote Similarity NPC314629
0.595 Remote Similarity NPC86906
0.595 Remote Similarity NPC472433
0.5946 Remote Similarity NPC313658
0.5946 Remote Similarity NPC316138
0.5942 Remote Similarity NPC297058
0.5941 Remote Similarity NPC64234
0.5941 Remote Similarity NPC37929
0.5932 Remote Similarity NPC13743
0.5932 Remote Similarity NPC98813
0.5929 Remote Similarity NPC469372
0.5926 Remote Similarity NPC471218
0.5926 Remote Similarity NPC307165
0.5912 Remote Similarity NPC120420
0.5909 Remote Similarity NPC26285
0.5909 Remote Similarity NPC321197
0.5906 Remote Similarity NPC30196
0.59 Remote Similarity NPC276290
0.5897 Remote Similarity NPC475332
0.5893 Remote Similarity NPC260343
0.5877 Remote Similarity NPC145707
0.5872 Remote Similarity NPC12283
0.5872 Remote Similarity NPC44261
0.5872 Remote Similarity NPC474193
0.5868 Remote Similarity NPC205176
0.5862 Remote Similarity NPC119225
0.5862 Remote Similarity NPC470382
0.5862 Remote Similarity NPC476261
0.5862 Remote Similarity NPC471635
0.5862 Remote Similarity NPC25033
0.5859 Remote Similarity NPC6531
0.5854 Remote Similarity NPC474099
0.5849 Remote Similarity NPC474833
0.5849 Remote Similarity NPC209135
0.5849 Remote Similarity NPC474816
0.5849 Remote Similarity NPC184737
0.5849 Remote Similarity NPC474005
0.5847 Remote Similarity NPC65700
0.5846 Remote Similarity NPC477140
0.5846 Remote Similarity NPC477143
0.5842 Remote Similarity NPC475004
0.5841 Remote Similarity NPC64913
0.5841 Remote Similarity NPC81195
0.5841 Remote Similarity NPC242877
0.5839 Remote Similarity NPC133089
0.5833 Remote Similarity NPC316133
0.5833 Remote Similarity NPC315783
0.5833 Remote Similarity NPC318445
0.5833 Remote Similarity NPC16709
0.5827 Remote Similarity NPC82129
0.5826 Remote Similarity NPC152778
0.5826 Remote Similarity NPC162615
0.5826 Remote Similarity NPC205034
0.5812 Remote Similarity NPC260796
0.5809 Remote Similarity NPC478139
0.5804 Remote Similarity NPC476600
0.5794 Remote Similarity NPC261750
0.5794 Remote Similarity NPC471537
0.5794 Remote Similarity NPC1111
0.5794 Remote Similarity NPC471299
0.5789 Remote Similarity NPC212679
0.5789 Remote Similarity NPC159568
0.5789 Remote Similarity NPC280149
0.5789 Remote Similarity NPC469595
0.5789 Remote Similarity NPC220454
0.5789 Remote Similarity NPC221111
0.5785 Remote Similarity NPC199831
0.5785 Remote Similarity NPC474828

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC75523 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
0.6496 Remote Similarity NPD4211 Phase 1
0.6288 Remote Similarity NPD8390 Approved
0.6288 Remote Similarity NPD8392 Approved
0.6288 Remote Similarity NPD8391 Approved
0.6231 Remote Similarity NPD8451 Approved
0.6183 Remote Similarity NPD8448 Approved
0.6098 Remote Similarity NPD2204 Approved
0.6087 Remote Similarity NPD5349 Clinical (unspecified phase)
0.6031 Remote Similarity NPD8342 Approved
0.6031 Remote Similarity NPD8341 Approved
0.6031 Remote Similarity NPD8340 Approved
0.6031 Remote Similarity NPD8299 Approved
0.602 Remote Similarity NPD616 Clinical (unspecified phase)
0.5985 Remote Similarity NPD8273 Phase 1
0.5985 Remote Similarity NPD8415 Approved
0.5938 Remote Similarity NPD7641 Discontinued
0.5902 Remote Similarity NPD810 Approved
0.5902 Remote Similarity NPD811 Approved
0.5902 Remote Similarity NPD812 Approved
0.5873 Remote Similarity NPD1376 Discontinued
0.584 Remote Similarity NPD2201 Approved
0.5833 Remote Similarity NPD7830 Approved
0.5833 Remote Similarity NPD7829 Approved
0.5833 Remote Similarity NPD7642 Approved
0.5827 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5814 Remote Similarity NPD4576 Approved
0.5814 Remote Similarity NPD4574 Approved
0.5794 Remote Similarity NPD4572 Approved
0.5794 Remote Similarity NPD4573 Approved
0.5794 Remote Similarity NPD4571 Approved
0.5778 Remote Similarity NPD8337 Approved
0.5778 Remote Similarity NPD8336 Approved
0.5775 Remote Similarity NPD2569 Approved
0.5775 Remote Similarity NPD2567 Approved
0.5758 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5753 Remote Similarity NPD7488 Clinical (unspecified phase)
0.5736 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5736 Remote Similarity NPD7505 Discontinued
0.5725 Remote Similarity NPD2613 Approved
0.5714 Remote Similarity NPD3087 Approved
0.5714 Remote Similarity NPD2566 Approved
0.5714 Remote Similarity NPD3615 Approved
0.5714 Remote Similarity NPD2574 Discontinued
0.5714 Remote Similarity NPD3088 Approved
0.5714 Remote Similarity NPD2570 Approved
0.5714 Remote Similarity NPD2571 Approved
0.5714 Remote Similarity NPD2573 Approved
0.5714 Remote Similarity NPD3614 Approved
0.5714 Remote Similarity NPD3089 Approved
0.5714 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5714 Remote Similarity NPD3090 Approved
0.5714 Remote Similarity NPD3616 Approved
0.5714 Remote Similarity NPD2572 Clinical (unspecified phase)
0.5714 Remote Similarity NPD4745 Approved
0.5714 Remote Similarity NPD4746 Phase 3
0.5676 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5674 Remote Similarity NPD5121 Approved
0.5674 Remote Similarity NPD5120 Approved
0.5674 Remote Similarity NPD5119 Approved
0.5669 Remote Similarity NPD6430 Approved
0.5669 Remote Similarity NPD6429 Approved
0.5662 Remote Similarity NPD2199 Approved
0.5662 Remote Similarity NPD2198 Approved
0.5662 Remote Similarity NPD5667 Approved
0.5656 Remote Similarity NPD2258 Approved
0.5656 Remote Similarity NPD2259 Approved
0.5646 Remote Similarity NPD2575 Approved
0.5645 Remote Similarity NPD5704 Approved
0.5645 Remote Similarity NPD5706 Approved
0.5645 Remote Similarity NPD3526 Approved
0.5645 Remote Similarity NPD5705 Approved
0.5645 Remote Similarity NPD3524 Approved
0.5639 Remote Similarity NPD8080 Discontinued
0.5635 Remote Similarity NPD550 Approved
0.5635 Remote Similarity NPD551 Approved
0.5634 Remote Similarity NPD4684 Phase 3
0.5634 Remote Similarity NPD4685 Phase 3
0.5634 Remote Similarity NPD4686 Approved
0.5625 Remote Similarity NPD8384 Approved
0.5612 Remote Similarity NPD5203 Approved
0.5612 Remote Similarity NPD4620 Approved
0.5612 Remote Similarity NPD4617 Approved
0.5612 Remote Similarity NPD5202 Clinical (unspecified phase)
0.5612 Remote Similarity NPD8338 Approved
0.5612 Remote Similarity NPD5201 Approved

Structure

External Identifiers

PubChem CID   24762835
ChEMBL   CHEMBL250641
ZINC  

Physicochemical Properties

Molecular Weight:  263.12
ALogP:  -0.3954
MLogP:  2.45
XLogP:  0.214
# Rotatable Bonds:  2
Polar Surface Area:  48
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  19

Download Data

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