Natural Product: NPC92710

Natural Product ID:  NPC92710
Common Name:   Capsicoside F
IUPAC Name:  
Synonyms:  
Molecular Formula:   C63H104O34
Standard InCHIKey:  OAQWRGQBUZDMMO-WEFRZZFOSA-N
Standard InCHI:  InChI=1S/C63H104O34/c1-21(20-85-56-47(80)43(76)38(71)31(14-64)88-56)5-8-28-22(2)37-30(86-28)12-26-24-7-6-23-11-29(27(70)13-63(23,4)25(24)9-10-62(26,37)3)87-57-50(83)46(79)52(36(19-69)93-57)94-61-55(54(42(75)35(18-68)92-61)96-59-49(82)45(78)40(73)33(16-66)90-59)97-60-51(84)53(41(74)34(17-67)91-60)95-58-48(81)44(77)39(72)32(15-65)89-58/h21,23-27,29-61,64-84H,5-20H2,1-4H3/t21-,23+,24-,25+,26+,27-,29-,30+,31-,32-,33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,50-,51-,52+,53+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](O[C@@H]2C[C@@H]3CC[C@@H]4[C@@H]([C@]3(C[C@H]2O)C)CC[C@]2([C@H]4C[C@H]3[C@@H]2C(=C(O3)CC[C@H](CO[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)C)C)C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O)O
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
NPO16501.2 Capsicum annuum Under-species NA NA Seeds PMID[12105963]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4131 Organism Bacillus licheniformis DSM 13=ATCC 14580 Bacillus licheniformis DSM 13=ATCC 14580 MIC > 1000 ug/ml PubChem BioAssay data set
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC > 1000 ug/ml PubChem BioAssay data set
NPT2922 Organism Staphylococcus aureus subsp. aureus Staphylococcus aureus subsp. aureus MIC > 1000 ug/ml PubChem BioAssay data set
NPT17 Organism Staphylococcus epidermidis Staphylococcus epidermidis MIC > 1000 ug/ml PubChem BioAssay data set
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC > 1000 ug/ml PubChem BioAssay data set
NPT175 Organism Enterococcus faecalis Enterococcus faecalis MIC > 1000 ug/ml PubChem BioAssay data set
NPT4130 Organism Lactobacillus rhamnosus Lactobacillus rhamnosus MIC = 1000 ug/ml PubChem BioAssay data set
NPT314 Organism Bacillus cereus Bacillus cereus MIC = 1000 ug/ml PubChem BioAssay data set
NPT4128 Organism Lactobacillus fermentum Lactobacillus fermentum MIC = 1000 ug/ml 26316467
NPT19 Organism Escherichia coli Escherichia coli MIC > 1000 ug/ml 20158243
NPT4127 Organism Pseudomonas stutzeri Pseudomonas stutzeri MIC > 1000 ug/ml 20158243
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 1000 ug/ml 12713407
NPT1825 Organism Lactobacillus plantarum Lactobacillus plantarum MIC = 1000 ug/ml 11908991
NPT4129 Organism Lactobacillus casei Lactobacillus casei MIC = 1000 ug/ml 10869204

  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 NPC92710 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
0.9706 High Similarity NPC128123
0.9528 High Similarity NPC208832
0.9434 High Similarity NPC476546
0.934 High Similarity NPC308140
0.9159 High Similarity NPC32361
0.9159 High Similarity NPC244431
0.9159 High Similarity NPC210569
0.9159 High Similarity NPC31896
0.9159 High Similarity NPC263359
0.9074 High Similarity NPC79900
0.9065 High Similarity NPC476547
0.8991 High Similarity NPC32707
0.8991 High Similarity NPC167183
0.8972 High Similarity NPC23808
0.8972 High Similarity NPC222202
0.8972 High Similarity NPC87998
0.8972 High Similarity NPC224314
0.8972 High Similarity NPC477811
0.8972 High Similarity NPC269297
0.8889 High Similarity NPC13193
0.8879 High Similarity NPC248746
0.8879 High Similarity NPC249265
0.8879 High Similarity NPC84956
0.8879 High Similarity NPC477809
0.8879 High Similarity NPC224098
0.8879 High Similarity NPC171073
0.8879 High Similarity NPC6806
0.8879 High Similarity NPC475333
0.8879 High Similarity NPC95051
0.8879 High Similarity NPC300557
0.8879 High Similarity NPC102016
0.8879 High Similarity NPC244086
0.8879 High Similarity NPC232054
0.8879 High Similarity NPC150372
0.8879 High Similarity NPC208383
0.8879 High Similarity NPC73243
0.8879 High Similarity NPC475550
0.8879 High Similarity NPC218571
0.8879 High Similarity NPC194207
0.8879 High Similarity NPC470433
0.8879 High Similarity NPC22779
0.8879 High Similarity NPC309278
0.8879 High Similarity NPC46190
0.8868 High Similarity NPC94272
0.8818 High Similarity NPC477810
0.8796 High Similarity NPC470867
0.8785 High Similarity NPC98696
0.8785 High Similarity NPC180183
0.8785 High Similarity NPC6931
0.8785 High Similarity NPC246124
0.8785 High Similarity NPC159005
0.875 High Similarity NPC475357
0.8739 High Similarity NPC148965
0.8727 High Similarity NPC307642
0.8727 High Similarity NPC476693
0.8716 High Similarity NPC475247
0.8716 High Similarity NPC124677
0.8716 High Similarity NPC294129
0.8716 High Similarity NPC477032
0.8716 High Similarity NPC477028
0.8704 High Similarity NPC302057
0.8704 High Similarity NPC151134
0.8692 High Similarity NPC470432
0.8692 High Similarity NPC113044
0.8692 High Similarity NPC14946
0.8692 High Similarity NPC161676
0.8692 High Similarity NPC14704
0.8692 High Similarity NPC283829
0.8692 High Similarity NPC208650
0.8692 High Similarity NPC305423
0.8692 High Similarity NPC230507
0.8692 High Similarity NPC473469
0.8692 High Similarity NPC63368
0.8692 High Similarity NPC181467
0.8661 High Similarity NPC20979
0.8649 High Similarity NPC477808
0.8641 High Similarity NPC470862
0.8641 High Similarity NPC51520
0.8641 High Similarity NPC83137
0.8641 High Similarity NPC115165
0.8641 High Similarity NPC232611
0.8641 High Similarity NPC303069
0.8641 High Similarity NPC470861
0.8636 High Similarity NPC42171
0.8624 High Similarity NPC247037
0.8611 High Similarity NPC51172
0.8611 High Similarity NPC125324
0.8611 High Similarity NPC220427
0.8611 High Similarity NPC7213
0.8611 High Similarity NPC49032
0.8598 High Similarity NPC269627
0.8598 High Similarity NPC152584
0.8598 High Similarity NPC69737
0.8598 High Similarity NPC160816
0.8598 High Similarity NPC194842
0.8598 High Similarity NPC208477
0.8598 High Similarity NPC127801
0.8598 High Similarity NPC208594
0.8598 High Similarity NPC242748
0.8598 High Similarity NPC181845
0.8585 High Similarity NPC16573
0.8571 High Similarity NPC477029
0.8571 High Similarity NPC477030
0.8558 High Similarity NPC291548
0.8558 High Similarity NPC473518
0.8545 High Similarity NPC197231
0.8544 High Similarity NPC132080
0.8544 High Similarity NPC473601
0.8544 High Similarity NPC470864
0.8544 High Similarity NPC97700
0.8544 High Similarity NPC195297
0.8544 High Similarity NPC232037
0.8544 High Similarity NPC103616
0.8544 High Similarity NPC287483
0.8544 High Similarity NPC116756
0.8544 High Similarity NPC160426
0.8544 High Similarity NPC184617
0.8544 High Similarity NPC128572
0.8544 High Similarity NPC284104
0.8544 High Similarity NPC30856
0.8544 High Similarity NPC98018
0.8544 High Similarity NPC470863
0.8544 High Similarity NPC84111
0.8544 High Similarity NPC475643
0.8544 High Similarity NPC475625
0.8544 High Similarity NPC470865
0.8544 High Similarity NPC470866
0.8532 High Similarity NPC40440
0.8532 High Similarity NPC70204
0.8532 High Similarity NPC306131
0.8532 High Similarity NPC475670
0.8532 High Similarity NPC42482
0.8532 High Similarity NPC477026
0.8532 High Similarity NPC477027
0.8519 High Similarity NPC190395
0.8519 High Similarity NPC54619
0.8505 High Similarity NPC165033
0.8505 High Similarity NPC475521
0.8505 High Similarity NPC273879
0.8496 Intermediate Similarity NPC477807
0.8491 Intermediate Similarity NPC312553
0.8491 Intermediate Similarity NPC159036
0.8491 Intermediate Similarity NPC288694
0.8482 Intermediate Similarity NPC11548
0.8468 Intermediate Similarity NPC19888
0.8468 Intermediate Similarity NPC472716
0.8468 Intermediate Similarity NPC254255
0.8462 Intermediate Similarity NPC307534
0.8462 Intermediate Similarity NPC476112
0.8455 Intermediate Similarity NPC141433
0.8447 Intermediate Similarity NPC206003
0.8447 Intermediate Similarity NPC107962
0.8447 Intermediate Similarity NPC475351
0.8447 Intermediate Similarity NPC473610
0.8447 Intermediate Similarity NPC19400
0.8447 Intermediate Similarity NPC473727
0.8447 Intermediate Similarity NPC211354
0.8447 Intermediate Similarity NPC6295
0.8447 Intermediate Similarity NPC107188
0.844 Intermediate Similarity NPC476541
0.844 Intermediate Similarity NPC476538
0.844 Intermediate Similarity NPC476539
0.844 Intermediate Similarity NPC476540
0.8435 Intermediate Similarity NPC473566
0.8435 Intermediate Similarity NPC475358
0.8426 Intermediate Similarity NPC470512
0.8426 Intermediate Similarity NPC309448
0.8426 Intermediate Similarity NPC473476
0.8426 Intermediate Similarity NPC173859
0.8426 Intermediate Similarity NPC473923
0.8426 Intermediate Similarity NPC474569
0.8421 Intermediate Similarity NPC476691
0.8421 Intermediate Similarity NPC10366
0.8421 Intermediate Similarity NPC476692
0.8411 Intermediate Similarity NPC120123
0.8411 Intermediate Similarity NPC155010
0.8411 Intermediate Similarity NPC8039
0.8411 Intermediate Similarity NPC131479
0.8411 Intermediate Similarity NPC211879
0.8411 Intermediate Similarity NPC189852
0.8411 Intermediate Similarity NPC157659
0.8411 Intermediate Similarity NPC31907
0.8411 Intermediate Similarity NPC245280
0.8411 Intermediate Similarity NPC16520
0.8411 Intermediate Similarity NPC472252
0.8411 Intermediate Similarity NPC114874
0.8411 Intermediate Similarity NPC473020
0.8411 Intermediate Similarity NPC286969
0.8407 Intermediate Similarity NPC63609
0.8407 Intermediate Similarity NPC477031
0.8393 Intermediate Similarity NPC476671
0.8393 Intermediate Similarity NPC144068
0.8378 Intermediate Similarity NPC472715
0.8378 Intermediate Similarity NPC65167
0.8378 Intermediate Similarity NPC114188
0.8378 Intermediate Similarity NPC470748
0.8376 Intermediate Similarity NPC256983
0.8376 Intermediate Similarity NPC476542
0.8365 Intermediate Similarity NPC121453
0.8364 Intermediate Similarity NPC476835

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC92710 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
0.8252 Intermediate Similarity NPD8171 Discontinued
0.812 Intermediate Similarity NPD8377 Approved
0.812 Intermediate Similarity NPD8294 Approved
0.8051 Intermediate Similarity NPD8378 Approved
0.8051 Intermediate Similarity NPD8296 Approved
0.8051 Intermediate Similarity NPD8033 Approved
0.8051 Intermediate Similarity NPD8379 Approved
0.8051 Intermediate Similarity NPD8335 Approved
0.8051 Intermediate Similarity NPD8380 Approved
0.7731 Intermediate Similarity NPD7516 Approved
0.7647 Intermediate Similarity NPD7328 Approved
0.7647 Intermediate Similarity NPD7327 Approved
0.7607 Intermediate Similarity NPD8133 Approved
0.7522 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7364 Intermediate Similarity NPD8450 Suspended
0.7317 Intermediate Similarity NPD7503 Approved
0.7287 Intermediate Similarity NPD8449 Approved
0.7265 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6412 Phase 2
0.7222 Intermediate Similarity NPD7507 Approved
0.7131 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD6928 Phase 2
0.7054 Intermediate Similarity NPD7319 Approved
0.6797 Remote Similarity NPD8328 Phase 3
0.6718 Remote Similarity NPD7736 Approved
0.6612 Remote Similarity NPD6686 Approved
0.6589 Remote Similarity NPD6370 Approved
0.6515 Remote Similarity NPD8293 Discontinued
0.6503 Remote Similarity NPD7625 Phase 1
0.6486 Remote Similarity NPD7524 Approved
0.6449 Remote Similarity NPD7525 Registered
0.6434 Remote Similarity NPD6059 Approved
0.6434 Remote Similarity NPD6054 Approved
0.6379 Remote Similarity NPD7991 Discontinued
0.6288 Remote Similarity NPD6067 Discontinued
0.626 Remote Similarity NPD8516 Approved
0.626 Remote Similarity NPD8515 Approved
0.626 Remote Similarity NPD6016 Approved
0.626 Remote Similarity NPD6015 Approved
0.626 Remote Similarity NPD8517 Approved
0.625 Remote Similarity NPD4159 Approved
0.6241 Remote Similarity NPD7492 Approved
0.6226 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6218 Remote Similarity NPD7638 Approved
0.6216 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6212 Remote Similarity NPD5988 Approved
0.6204 Remote Similarity NPD7645 Phase 2
0.6194 Remote Similarity NPD6616 Approved
0.619 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6167 Remote Similarity NPD7640 Approved
0.6167 Remote Similarity NPD7639 Approved
0.6148 Remote Similarity NPD7078 Approved
0.6147 Remote Similarity NPD4748 Discontinued
0.6142 Remote Similarity NPD8297 Approved
0.6142 Remote Similarity NPD6882 Approved
0.6136 Remote Similarity NPD8513 Phase 3
0.6132 Remote Similarity NPD6942 Approved
0.6132 Remote Similarity NPD7339 Approved
0.6126 Remote Similarity NPD6695 Phase 3
0.6077 Remote Similarity NPD6009 Approved
0.6066 Remote Similarity NPD7632 Discontinued
0.6061 Remote Similarity NPD6319 Approved
0.6053 Remote Similarity NPD7750 Discontinued
0.6053 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6032 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5985 Remote Similarity NPD6033 Approved
0.5983 Remote Similarity NPD8035 Phase 2
0.5983 Remote Similarity NPD8034 Phase 2
0.5969 Remote Similarity NPD4632 Approved
0.5962 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5952 Remote Similarity NPD7320 Approved
0.5932 Remote Similarity NPD6399 Phase 3
0.5926 Remote Similarity NPD6933 Approved
0.592 Remote Similarity NPD7128 Approved
0.592 Remote Similarity NPD6402 Approved
0.592 Remote Similarity NPD5739 Approved
0.592 Remote Similarity NPD6675 Approved
0.5909 Remote Similarity NPD6929 Approved
0.5906 Remote Similarity NPD6372 Approved
0.5906 Remote Similarity NPD6373 Approved
0.5888 Remote Similarity NPD1810 Approved
0.5888 Remote Similarity NPD1811 Approved
0.5878 Remote Similarity NPD6940 Discontinued
0.5859 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5856 Remote Similarity NPD6930 Phase 2
0.5856 Remote Similarity NPD6931 Approved
0.5833 Remote Similarity NPD8137 Clinical (unspecified phase)
0.5827 Remote Similarity NPD8174 Phase 2
0.5827 Remote Similarity NPD6899 Approved
0.5827 Remote Similarity NPD6881 Approved
0.5814 Remote Similarity NPD6649 Approved
0.5814 Remote Similarity NPD8130 Phase 1
0.5814 Remote Similarity NPD6650 Approved
0.5794 Remote Similarity NPD6008 Approved
0.5789 Remote Similarity NPD4786 Approved
0.5769 Remote Similarity NPD6053 Discontinued
0.575 Remote Similarity NPD7748 Approved
0.5748 Remote Similarity NPD5697 Approved
0.5748 Remote Similarity NPD5701 Approved
0.5741 Remote Similarity NPD4785 Approved
0.5741 Remote Similarity NPD4784 Approved
0.5741 Remote Similarity NPD6924 Approved
0.5741 Remote Similarity NPD6926 Approved
0.5739 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5738 Remote Similarity NPD7902 Approved
0.5738 Remote Similarity NPD4755 Approved
0.5738 Remote Similarity NPD6084 Phase 2
0.5738 Remote Similarity NPD6083 Phase 2
0.5736 Remote Similarity NPD6883 Approved
0.5736 Remote Similarity NPD7290 Approved
0.5736 Remote Similarity NPD7102 Approved
0.5736 Remote Similarity NPD4634 Approved
0.5727 Remote Similarity NPD6932 Approved
0.5727 Remote Similarity NPD6925 Approved
0.5727 Remote Similarity NPD5776 Phase 2
0.5714 Remote Similarity NPD7115 Discovery
0.5714 Remote Similarity NPD7087 Discontinued
0.5701 Remote Similarity NPD4243 Approved
0.5693 Remote Similarity NPD7604 Phase 2
0.5692 Remote Similarity NPD6617 Approved
0.5692 Remote Similarity NPD6869 Approved
0.5692 Remote Similarity NPD6847 Approved
0.5676 Remote Similarity NPD7145 Approved
0.5674 Remote Similarity NPD5956 Approved
0.5667 Remote Similarity NPD4202 Approved
0.5662 Remote Similarity NPD8274 Clinical (unspecified phase)
0.5662 Remote Similarity NPD5983 Phase 2
0.5659 Remote Similarity NPD6013 Approved
0.5659 Remote Similarity NPD6014 Approved
0.5659 Remote Similarity NPD6012 Approved
0.5645 Remote Similarity NPD4700 Approved
0.5645 Remote Similarity NPD5286 Approved
0.5645 Remote Similarity NPD4696 Approved
0.5645 Remote Similarity NPD5285 Approved
0.563 Remote Similarity NPD3168 Discontinued
0.5625 Remote Similarity NPD6683 Phase 2
0.5625 Remote Similarity NPD5954 Clinical (unspecified phase)
0.562 Remote Similarity NPD8080 Discontinued
0.5614 Remote Similarity NPD3667 Approved
0.5612 Remote Similarity NPD6336 Discontinued
0.5607 Remote Similarity NPD2687 Approved
0.5607 Remote Similarity NPD4787 Phase 1
0.5607 Remote Similarity NPD2254 Approved
0.5607 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5607 Remote Similarity NPD2686 Approved
0.5603 Remote Similarity NPD6893 Approved

Structure

External Identifiers

PubChem CID   76316015
ChEMBL   CHEMBL2271379
ZINC  

Physicochemical Properties

Molecular Weight:  1404.64
ALogP:  -9.9085
MLogP:  4.65
XLogP:  -4.145
# Rotatable Bonds:  47
Polar Surface Area:  544.82
# H-Bond Aceptor:  34
# H-Bond Donor:  21
# Rings:  11
# Heavy Atoms:  97

Download Data

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