Natural Product: NPC471844

Natural Product ID:  NPC471844
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C23H37NO6
Standard InCHIKey:  QQZUFGGTELUCTG-OENGMGLDSA-N
Standard InCHI:  InChI=1S/C23H37NO6/c1-5-16-18(12-14(2)20(25)28-4)30-23-10-8-17(19-13-15(3)21(26)29-19)24(23)11-7-6-9-22(16,23)27/h14-19,27H,5-13H2,1-4H3/t14-,15-,16-,17-,18-,19-,22-,23-/m0/s1
Canonical SMILES:  COC(=O)[C@H](C[C@@H]1O[C@]23[C@]([C@H]1CC)(O)CCCCN3[C@@H](CC2)[C@@H]1C[C@@H](C(=O)O1)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
NPO10055 Stichoneuron caudatum Species Stemonaceae Eukaryota PMID[24606395]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 > 100000 nM 15139749

  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 NPC471844 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
0.9175 High Similarity NPC471843
0.8288 Intermediate Similarity NPC471845
0.8288 Intermediate Similarity NPC241294
0.8288 Intermediate Similarity NPC202722
0.8288 Intermediate Similarity NPC39041
0.8288 Intermediate Similarity NPC471846
0.785 Intermediate Similarity NPC233274
0.785 Intermediate Similarity NPC194750
0.785 Intermediate Similarity NPC287638
0.7526 Intermediate Similarity NPC216090
0.7395 Intermediate Similarity NPC11379
0.7377 Intermediate Similarity NPC474371
0.7258 Intermediate Similarity NPC173173
0.725 Intermediate Similarity NPC230849
0.7115 Intermediate Similarity NPC52533
0.7103 Intermediate Similarity NPC469998
0.7075 Intermediate Similarity NPC476019
0.6991 Remote Similarity NPC265094
0.6887 Remote Similarity NPC322966
0.6887 Remote Similarity NPC203170
0.6803 Remote Similarity NPC174463
0.6667 Remote Similarity NPC235625
0.6667 Remote Similarity NPC277918
0.6667 Remote Similarity NPC469466
0.6609 Remote Similarity NPC227622
0.6512 Remote Similarity NPC476951
0.6484 Remote Similarity NPC326386
0.6484 Remote Similarity NPC471087
0.6484 Remote Similarity NPC477985
0.6484 Remote Similarity NPC469999
0.6471 Remote Similarity NPC233108
0.6436 Remote Similarity NPC228411
0.6412 Remote Similarity NPC470539
0.6393 Remote Similarity NPC76660
0.6393 Remote Similarity NPC276995
0.6387 Remote Similarity NPC271562
0.6385 Remote Similarity NPC280903
0.6378 Remote Similarity NPC23963
0.6364 Remote Similarity NPC215507
0.6341 Remote Similarity NPC63191
0.6341 Remote Similarity NPC471202
0.6336 Remote Similarity NPC471086
0.632 Remote Similarity NPC65045
0.6316 Remote Similarity NPC160066
0.6286 Remote Similarity NPC956
0.6279 Remote Similarity NPC477989
0.6279 Remote Similarity NPC293550
0.6279 Remote Similarity NPC323168
0.6279 Remote Similarity NPC111162
0.6279 Remote Similarity NPC473477
0.6279 Remote Similarity NPC477990
0.627 Remote Similarity NPC476952
0.6262 Remote Similarity NPC320936
0.626 Remote Similarity NPC470537
0.625 Remote Similarity NPC475616
0.625 Remote Similarity NPC137453
0.6212 Remote Similarity NPC212106
0.6207 Remote Similarity NPC474952
0.6204 Remote Similarity NPC473791
0.6174 Remote Similarity NPC313821
0.6172 Remote Similarity NPC88190
0.6165 Remote Similarity NPC309249
0.6129 Remote Similarity NPC43648
0.6126 Remote Similarity NPC292345
0.6124 Remote Similarity NPC470000
0.6115 Remote Similarity NPC88943
0.6111 Remote Similarity NPC470538
0.61 Remote Similarity NPC163538
0.61 Remote Similarity NPC115800
0.6094 Remote Similarity NPC138534
0.6094 Remote Similarity NPC477986
0.608 Remote Similarity NPC193471
0.608 Remote Similarity NPC130124
0.6068 Remote Similarity NPC274695
0.6068 Remote Similarity NPC220234
0.6063 Remote Similarity NPC209734
0.6061 Remote Similarity NPC309525
0.6048 Remote Similarity NPC30911
0.6048 Remote Similarity NPC316984
0.6038 Remote Similarity NPC474702
0.6036 Remote Similarity NPC314364
0.6036 Remote Similarity NPC51662
0.6033 Remote Similarity NPC236644
0.6029 Remote Similarity NPC133089
0.6019 Remote Similarity NPC47135
0.6016 Remote Similarity NPC106791
0.6016 Remote Similarity NPC201889
0.6014 Remote Similarity NPC474210
0.6 Remote Similarity NPC470283
0.6 Remote Similarity NPC475715
0.6 Remote Similarity NPC476715
0.6 Remote Similarity NPC473419
0.6 Remote Similarity NPC475127
0.5984 Remote Similarity NPC476502
0.5969 Remote Similarity NPC477237
0.5966 Remote Similarity NPC188453
0.5966 Remote Similarity NPC42320
0.5965 Remote Similarity NPC208537
0.5965 Remote Similarity NPC270005
0.5952 Remote Similarity NPC28224
0.5946 Remote Similarity NPC476717
0.5943 Remote Similarity NPC470014
0.5938 Remote Similarity NPC469997
0.5935 Remote Similarity NPC15413
0.5935 Remote Similarity NPC70235
0.5922 Remote Similarity NPC473699
0.5922 Remote Similarity NPC475232
0.5922 Remote Similarity NPC51249
0.5922 Remote Similarity NPC474100
0.5922 Remote Similarity NPC475260
0.5922 Remote Similarity NPC473775
0.59 Remote Similarity NPC266242
0.59 Remote Similarity NPC74555
0.59 Remote Similarity NPC254617
0.59 Remote Similarity NPC306763
0.59 Remote Similarity NPC474469
0.59 Remote Similarity NPC469925
0.5896 Remote Similarity NPC476501
0.5894 Remote Similarity NPC316244
0.5891 Remote Similarity NPC284656
0.5882 Remote Similarity NPC477988
0.5878 Remote Similarity NPC477238
0.5872 Remote Similarity NPC102156
0.5872 Remote Similarity NPC212340
0.5872 Remote Similarity NPC148740
0.5868 Remote Similarity NPC97336
0.5868 Remote Similarity NPC215988
0.5865 Remote Similarity NPC215030
0.5865 Remote Similarity NPC125164
0.5852 Remote Similarity NPC476497
0.5841 Remote Similarity NPC470009
0.5841 Remote Similarity NPC471221
0.5839 Remote Similarity NPC120335
0.5833 Remote Similarity NPC273185
0.5827 Remote Similarity NPC469597
0.5821 Remote Similarity NPC477987
0.5821 Remote Similarity NPC329401
0.58 Remote Similarity NPC59221
0.58 Remote Similarity NPC184150
0.58 Remote Similarity NPC141156
0.5794 Remote Similarity NPC168758
0.5794 Remote Similarity NPC181510
0.5794 Remote Similarity NPC58281
0.5794 Remote Similarity NPC47857
0.5794 Remote Similarity NPC473984
0.5794 Remote Similarity NPC470534
0.5785 Remote Similarity NPC5864
0.5785 Remote Similarity NPC124554
0.5785 Remote Similarity NPC301148
0.5772 Remote Similarity NPC168890
0.5772 Remote Similarity NPC228311
0.5772 Remote Similarity NPC469441
0.5772 Remote Similarity NPC41674
0.5772 Remote Similarity NPC241394
0.5766 Remote Similarity NPC307165
0.5766 Remote Similarity NPC227051
0.5763 Remote Similarity NPC134504
0.5763 Remote Similarity NPC47076
0.5755 Remote Similarity NPC330017
0.5748 Remote Similarity NPC1111
0.5748 Remote Similarity NPC261750
0.5746 Remote Similarity NPC314512
0.5746 Remote Similarity NPC314451
0.5746 Remote Similarity NPC313333
0.5746 Remote Similarity NPC313342
0.5746 Remote Similarity NPC477518
0.5745 Remote Similarity NPC45813
0.5743 Remote Similarity NPC171850
0.5743 Remote Similarity NPC286842
0.5736 Remote Similarity NPC30196
0.5726 Remote Similarity NPC469788
0.5726 Remote Similarity NPC290247
0.5726 Remote Similarity NPC176756
0.5726 Remote Similarity NPC469787
0.5714 Remote Similarity NPC478111
0.5714 Remote Similarity NPC83839
0.5702 Remote Similarity NPC177629
0.5702 Remote Similarity NPC58219
0.5702 Remote Similarity NPC476435
0.5702 Remote Similarity NPC470284
0.5701 Remote Similarity NPC474003
0.5701 Remote Similarity NPC476719
0.57 Remote Similarity NPC12514
0.57 Remote Similarity NPC322319
0.57 Remote Similarity NPC326651
0.57 Remote Similarity NPC294883
0.57 Remote Similarity NPC325117
0.5692 Remote Similarity NPC6531
0.5691 Remote Similarity NPC128303
0.5691 Remote Similarity NPC323720
0.5691 Remote Similarity NPC124549
0.5691 Remote Similarity NPC64168
0.5686 Remote Similarity NPC82315
0.5683 Remote Similarity NPC262050
0.568 Remote Similarity NPC167044
0.568 Remote Similarity NPC329876
0.568 Remote Similarity NPC278693
0.568 Remote Similarity NPC220773
0.5676 Remote Similarity NPC145748
0.5676 Remote Similarity NPC155670

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471844 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
0.6961 Remote Similarity NPD883 Phase 2
0.6961 Remote Similarity NPD882 Phase 2
0.6957 Remote Similarity NPD8140 Approved
0.6957 Remote Similarity NPD8307 Discontinued
0.6696 Remote Similarity NPD8275 Approved
0.6696 Remote Similarity NPD8276 Approved
0.6694 Remote Similarity NPD8346 Approved
0.6694 Remote Similarity NPD8347 Approved
0.6694 Remote Similarity NPD8345 Approved
0.6639 Remote Similarity NPD8087 Discontinued
0.6609 Remote Similarity NPD8084 Approved
0.6609 Remote Similarity NPD8085 Approved
0.6609 Remote Similarity NPD8139 Approved
0.6609 Remote Similarity NPD8138 Approved
0.6609 Remote Similarity NPD8086 Approved
0.6609 Remote Similarity NPD8083 Approved
0.6609 Remote Similarity NPD8082 Approved
0.6581 Remote Similarity NPD8393 Approved
0.6496 Remote Similarity NPD8081 Approved
0.6423 Remote Similarity NPD7915 Approved
0.6423 Remote Similarity NPD7916 Approved
0.6404 Remote Similarity NPD3714 Approved
0.6404 Remote Similarity NPD3715 Approved
0.6404 Remote Similarity NPD3713 Approved
0.6286 Remote Similarity NPD5193 Discontinued
0.6273 Remote Similarity NPD4264 Clinical (unspecified phase)
0.6174 Remote Similarity NPD3190 Approved
0.6174 Remote Similarity NPD3189 Approved
0.6174 Remote Similarity NPD3191 Approved
0.6148 Remote Similarity NPD8305 Approved
0.6148 Remote Similarity NPD8306 Approved
0.6126 Remote Similarity NPD618 Clinical (unspecified phase)
0.6063 Remote Similarity NPD8137 Clinical (unspecified phase)
0.605 Remote Similarity NPD8300 Approved
0.605 Remote Similarity NPD8301 Approved
0.6048 Remote Similarity NPD2204 Approved
0.6019 Remote Similarity NPD7345 Approved
0.598 Remote Similarity NPD6704 Discontinued
0.5943 Remote Similarity NPD617 Approved
0.5941 Remote Similarity NPD2696 Approved
0.5941 Remote Similarity NPD2697 Approved
0.5941 Remote Similarity NPD2694 Approved
0.5941 Remote Similarity NPD2695 Approved
0.59 Remote Similarity NPD9444 Discontinued
0.5878 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5877 Remote Similarity NPD2682 Approved
0.5772 Remote Similarity NPD6920 Discontinued
0.5758 Remote Similarity NPD8267 Approved
0.5758 Remote Similarity NPD8268 Approved
0.5758 Remote Similarity NPD8266 Approved
0.5758 Remote Similarity NPD8269 Approved
0.5746 Remote Similarity NPD8340 Approved
0.5746 Remote Similarity NPD8341 Approved
0.5746 Remote Similarity NPD8342 Approved
0.5746 Remote Similarity NPD8299 Approved
0.5714 Remote Similarity NPD619 Phase 3
0.5714 Remote Similarity NPD8080 Discontinued
0.5704 Remote Similarity NPD8273 Phase 1
0.5704 Remote Similarity NPD8451 Approved
0.5662 Remote Similarity NPD8448 Approved
0.5656 Remote Similarity NPD3184 Approved
0.5656 Remote Similarity NPD3183 Approved
0.5656 Remote Similarity NPD3185 Approved
0.5656 Remote Similarity NPD3182 Approved
0.5652 Remote Similarity NPD8392 Approved
0.5652 Remote Similarity NPD8390 Approved
0.5652 Remote Similarity NPD8391 Approved
0.5649 Remote Similarity NPD7641 Discontinued
0.5635 Remote Similarity NPD6941 Approved
0.5631 Remote Similarity NPD3725 Approved
0.5631 Remote Similarity NPD3726 Approved
0.5615 Remote Similarity NPD6940 Discontinued

Structure

External Identifiers

PubChem CID   90655428
ChEMBL   CHEMBL3237629
ZINC  

Physicochemical Properties

Molecular Weight:  423.26
ALogP:  -1.424
MLogP:  3.22
XLogP:  2.672
# Rotatable Bonds:  11
Polar Surface Area:  85.3
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  30

Download Data

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Biological Activities  
Similar NPs/Drugs