Natural Product: NPC61688

Natural Product ID:  NPC61688
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C27H42O4
Standard InCHIKey:  FGMDCYOFHYPQLK-BDLUGEFISA-N
Standard InCHI:  InChI=1S/C27H42O4/c1-16(13-17(2)28)18-9-10-25(6)22-19(29)14-27-20(7-8-21(30)23(27,3)4)26(22,15-31-27)12-11-24(18,25)5/h16,18,20-22,30H,7-15H2,1-6H3/t16-,18-,20+,21+,22+,24-,25+,26-,27-/m1/s1
Canonical SMILES:  CC(=O)C[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2C(=O)C[C@]2([C@H]3CC[C@@H](C2(C)C)O)OC1)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
NPO8182 Momordica charantia Species Cucurbitaceae Eukaryota Roots PMID[24836069]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = -39 % 19928902
NPT178 Individual Protein Protein-tyrosine phosphatase 1B Homo sapiens Inhibition = -49 % 17854154

  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 NPC61688 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
0.9186 High Similarity NPC477614
0.9186 High Similarity NPC226491
0.9167 High Similarity NPC50438
0.8953 High Similarity NPC80700
0.8851 High Similarity NPC263802
0.8837 High Similarity NPC473350
0.8791 High Similarity NPC62407
0.8791 High Similarity NPC287354
0.8778 High Similarity NPC476189
0.8721 High Similarity NPC473336
0.8721 High Similarity NPC471044
0.8721 High Similarity NPC477434
0.8696 High Similarity NPC116683
0.8652 High Similarity NPC200580
0.8605 High Similarity NPC268578
0.8605 High Similarity NPC217559
0.8605 High Similarity NPC292458
0.8587 High Similarity NPC17336
0.8556 High Similarity NPC476296
0.8523 High Similarity NPC302111
0.8523 High Similarity NPC83242
0.8495 Intermediate Similarity NPC193785
0.8444 Intermediate Similarity NPC24705
0.8444 Intermediate Similarity NPC67653
0.8444 Intermediate Similarity NPC471459
0.8444 Intermediate Similarity NPC56962
0.8434 Intermediate Similarity NPC472487
0.8434 Intermediate Similarity NPC472486
0.8404 Intermediate Similarity NPC111187
0.8404 Intermediate Similarity NPC190080
0.8372 Intermediate Similarity NPC58631
0.837 Intermediate Similarity NPC161035
0.8333 Intermediate Similarity NPC178853
0.8316 Intermediate Similarity NPC476294
0.8313 Intermediate Similarity NPC159789
0.8313 Intermediate Similarity NPC125767
0.8313 Intermediate Similarity NPC21220
0.8298 Intermediate Similarity NPC476728
0.8295 Intermediate Similarity NPC237938
0.8295 Intermediate Similarity NPC219535
0.8295 Intermediate Similarity NPC34984
0.8295 Intermediate Similarity NPC25037
0.828 Intermediate Similarity NPC470424
0.8276 Intermediate Similarity NPC13494
0.8276 Intermediate Similarity NPC268040
0.8276 Intermediate Similarity NPC317066
0.8265 Intermediate Similarity NPC88469
0.8247 Intermediate Similarity NPC124544
0.8242 Intermediate Similarity NPC477443
0.8242 Intermediate Similarity NPC477440
0.8211 Intermediate Similarity NPC253586
0.8202 Intermediate Similarity NPC477205
0.8202 Intermediate Similarity NPC477445
0.8191 Intermediate Similarity NPC305808
0.8182 Intermediate Similarity NPC327451
0.8161 Intermediate Similarity NPC50658
0.8152 Intermediate Similarity NPC475211
0.8152 Intermediate Similarity NPC477433
0.8152 Intermediate Similarity NPC477442
0.8152 Intermediate Similarity NPC88337
0.8152 Intermediate Similarity NPC477444
0.8144 Intermediate Similarity NPC46848
0.814 Intermediate Similarity NPC31302
0.814 Intermediate Similarity NPC80891
0.814 Intermediate Similarity NPC320144
0.814 Intermediate Similarity NPC245029
0.814 Intermediate Similarity NPC201276
0.8132 Intermediate Similarity NPC471221
0.8132 Intermediate Similarity NPC476435
0.8132 Intermediate Similarity NPC473319
0.8132 Intermediate Similarity NPC3032
0.8132 Intermediate Similarity NPC131104
0.8118 Intermediate Similarity NPC221420
0.8118 Intermediate Similarity NPC23884
0.8111 Intermediate Similarity NPC476727
0.8111 Intermediate Similarity NPC476726
0.8111 Intermediate Similarity NPC474448
0.8105 Intermediate Similarity NPC163685
0.809 Intermediate Similarity NPC475689
0.809 Intermediate Similarity NPC319909
0.809 Intermediate Similarity NPC474996
0.809 Intermediate Similarity NPC473299
0.8081 Intermediate Similarity NPC327093
0.8072 Intermediate Similarity NPC232112
0.8068 Intermediate Similarity NPC289486
0.8068 Intermediate Similarity NPC61107
0.8065 Intermediate Similarity NPC475878
0.8065 Intermediate Similarity NPC52756
0.8061 Intermediate Similarity NPC213528
0.8061 Intermediate Similarity NPC246736
0.8061 Intermediate Similarity NPC76866
0.8061 Intermediate Similarity NPC214946
0.8061 Intermediate Similarity NPC148628
0.8061 Intermediate Similarity NPC244969
0.8061 Intermediate Similarity NPC304832
0.8061 Intermediate Similarity NPC88203
0.8061 Intermediate Similarity NPC275990
0.8061 Intermediate Similarity NPC286519
0.8061 Intermediate Similarity NPC471254
0.8046 Intermediate Similarity NPC470609
0.8041 Intermediate Similarity NPC108371
0.8041 Intermediate Similarity NPC94906
0.8023 Intermediate Similarity NPC185465
0.8023 Intermediate Similarity NPC80089
0.8023 Intermediate Similarity NPC34046
0.8023 Intermediate Similarity NPC171426
0.8023 Intermediate Similarity NPC324700
0.8023 Intermediate Similarity NPC224802
0.8022 Intermediate Similarity NPC202937
0.8021 Intermediate Similarity NPC170978
0.8 Intermediate Similarity NPC82633
0.8 Intermediate Similarity NPC475742
0.8 Intermediate Similarity NPC5767
0.798 Intermediate Similarity NPC34562
0.7978 Intermediate Similarity NPC15091
0.7961 Intermediate Similarity NPC473062
0.7959 Intermediate Similarity NPC52899
0.7959 Intermediate Similarity NPC163963
0.7959 Intermediate Similarity NPC289148
0.7957 Intermediate Similarity NPC470114
0.7957 Intermediate Similarity NPC77756
0.7957 Intermediate Similarity NPC46758
0.7955 Intermediate Similarity NPC469745
0.7955 Intermediate Similarity NPC254123
0.7952 Intermediate Similarity NPC320549
0.7952 Intermediate Similarity NPC156277
0.7952 Intermediate Similarity NPC151018
0.7952 Intermediate Similarity NPC58057
0.7952 Intermediate Similarity NPC89310
0.7938 Intermediate Similarity NPC472144
0.7938 Intermediate Similarity NPC20479
0.7938 Intermediate Similarity NPC472028
0.7938 Intermediate Similarity NPC38296
0.7938 Intermediate Similarity NPC162459
0.7938 Intermediate Similarity NPC471038
0.7938 Intermediate Similarity NPC38471
0.7938 Intermediate Similarity NPC253995
0.7938 Intermediate Similarity NPC98837
0.7938 Intermediate Similarity NPC28864
0.7935 Intermediate Similarity NPC90676
0.7931 Intermediate Similarity NPC81074
0.7931 Intermediate Similarity NPC477282
0.7917 Intermediate Similarity NPC329910
0.7917 Intermediate Similarity NPC477264
0.7917 Intermediate Similarity NPC235109
0.7912 Intermediate Similarity NPC475729
0.7912 Intermediate Similarity NPC92139
0.7912 Intermediate Similarity NPC472272
0.7912 Intermediate Similarity NPC155531
0.7912 Intermediate Similarity NPC215968
0.7912 Intermediate Similarity NPC474215
0.7912 Intermediate Similarity NPC114378
0.7912 Intermediate Similarity NPC103782
0.7912 Intermediate Similarity NPC472745
0.7907 Intermediate Similarity NPC477918
0.7907 Intermediate Similarity NPC11907
0.7907 Intermediate Similarity NPC475031
0.7907 Intermediate Similarity NPC133596
0.79 Intermediate Similarity NPC13149
0.79 Intermediate Similarity NPC100078
0.7895 Intermediate Similarity NPC215271
0.7895 Intermediate Similarity NPC477495
0.7895 Intermediate Similarity NPC104371
0.7895 Intermediate Similarity NPC29247
0.7895 Intermediate Similarity NPC91772
0.7895 Intermediate Similarity NPC129004
0.7895 Intermediate Similarity NPC292374
0.7895 Intermediate Similarity NPC289539
0.7895 Intermediate Similarity NPC111524
0.7895 Intermediate Similarity NPC101233
0.7895 Intermediate Similarity NPC261333
0.7895 Intermediate Similarity NPC153775
0.7889 Intermediate Similarity NPC105895
0.7882 Intermediate Similarity NPC273366
0.7882 Intermediate Similarity NPC97534
0.7882 Intermediate Similarity NPC195155
0.7882 Intermediate Similarity NPC174964
0.7879 Intermediate Similarity NPC470172
0.7865 Intermediate Similarity NPC328007
0.7857 Intermediate Similarity NPC180733
0.7857 Intermediate Similarity NPC293866
0.7857 Intermediate Similarity NPC41971
0.7857 Intermediate Similarity NPC37047
0.7857 Intermediate Similarity NPC287676
0.7841 Intermediate Similarity NPC477851
0.7835 Intermediate Similarity NPC472145
0.7835 Intermediate Similarity NPC469810
0.7826 Intermediate Similarity NPC239938
0.7822 Intermediate Similarity NPC37600
0.7822 Intermediate Similarity NPC200957
0.7822 Intermediate Similarity NPC138908
0.7822 Intermediate Similarity NPC166079
0.7822 Intermediate Similarity NPC4115
0.7822 Intermediate Similarity NPC306776
0.7822 Intermediate Similarity NPC295366
0.7816 Intermediate Similarity NPC475725
0.7812 Intermediate Similarity NPC470232
0.7812 Intermediate Similarity NPC288906
0.7812 Intermediate Similarity NPC470229
0.7812 Intermediate Similarity NPC263135

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC61688 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
0.8313 Intermediate Similarity NPD3703 Phase 2
0.8023 Intermediate Similarity NPD6118 Approved
0.8023 Intermediate Similarity NPD6697 Approved
0.8023 Intermediate Similarity NPD6115 Approved
0.8023 Intermediate Similarity NPD6114 Approved
0.7952 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6117 Approved
0.7711 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD6116 Phase 1
0.759 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD5360 Phase 3
0.7558 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7549 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD1700 Approved
0.7412 Intermediate Similarity NPD4789 Approved
0.7412 Intermediate Similarity NPD4244 Approved
0.7412 Intermediate Similarity NPD4245 Approved
0.7294 Intermediate Similarity NPD3698 Phase 2
0.7294 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD4758 Discontinued
0.708 Intermediate Similarity NPD6059 Approved
0.708 Intermediate Similarity NPD6054 Approved
0.7079 Intermediate Similarity NPD3702 Approved
0.7065 Intermediate Similarity NPD6928 Phase 2
0.7033 Intermediate Similarity NPD3671 Phase 1
0.7033 Intermediate Similarity NPD5364 Discontinued
0.697 Remote Similarity NPD8035 Phase 2
0.697 Remote Similarity NPD8034 Phase 2
0.6957 Remote Similarity NPD6370 Approved
0.6939 Remote Similarity NPD5328 Approved
0.6932 Remote Similarity NPD5777 Approved
0.6932 Remote Similarity NPD6081 Approved
0.6875 Remote Similarity NPD7520 Clinical (unspecified phase)
0.687 Remote Similarity NPD6016 Approved
0.687 Remote Similarity NPD6015 Approved
0.6852 Remote Similarity NPD7320 Approved
0.6838 Remote Similarity NPD7492 Approved
0.6822 Remote Similarity NPD6675 Approved
0.6822 Remote Similarity NPD7128 Approved
0.6822 Remote Similarity NPD5739 Approved
0.6822 Remote Similarity NPD6402 Approved
0.6822 Remote Similarity NPD6008 Approved
0.681 Remote Similarity NPD5988 Approved
0.6807 Remote Similarity NPD7736 Approved
0.68 Remote Similarity NPD6079 Approved
0.6796 Remote Similarity NPD4755 Approved
0.6789 Remote Similarity NPD6373 Approved
0.6789 Remote Similarity NPD6372 Approved
0.678 Remote Similarity NPD6616 Approved
0.6744 Remote Similarity NPD4224 Phase 2
0.6727 Remote Similarity NPD4634 Approved
0.6723 Remote Similarity NPD8293 Discontinued
0.6723 Remote Similarity NPD7078 Approved
0.6699 Remote Similarity NPD4697 Phase 3
0.6697 Remote Similarity NPD6881 Approved
0.6697 Remote Similarity NPD6899 Approved
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD6649 Approved
0.6667 Remote Similarity NPD6650 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6638 Remote Similarity NPD6319 Approved
0.6633 Remote Similarity NPD3618 Phase 1
0.6629 Remote Similarity NPD4787 Phase 1
0.6612 Remote Similarity NPD7319 Approved
0.6606 Remote Similarity NPD5697 Approved
0.6606 Remote Similarity NPD5701 Approved
0.6598 Remote Similarity NPD4786 Approved
0.6577 Remote Similarity NPD7290 Approved
0.6577 Remote Similarity NPD7102 Approved
0.6577 Remote Similarity NPD6883 Approved
0.6571 Remote Similarity NPD7638 Approved
0.6569 Remote Similarity NPD8171 Discontinued
0.6569 Remote Similarity NPD6399 Phase 3
0.6542 Remote Similarity NPD5226 Approved
0.6542 Remote Similarity NPD5224 Approved
0.6542 Remote Similarity NPD5225 Approved
0.6542 Remote Similarity NPD5211 Phase 2
0.6542 Remote Similarity NPD4633 Approved
0.6538 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6538 Remote Similarity NPD5222 Approved
0.6538 Remote Similarity NPD5221 Approved
0.6529 Remote Similarity NPD6033 Approved
0.6518 Remote Similarity NPD6869 Approved
0.6518 Remote Similarity NPD6847 Approved
0.6518 Remote Similarity NPD6617 Approved
0.6518 Remote Similarity NPD8130 Phase 1
0.6509 Remote Similarity NPD7639 Approved
0.6509 Remote Similarity NPD7640 Approved
0.6509 Remote Similarity NPD8418 Phase 2
0.6486 Remote Similarity NPD6012 Approved
0.6486 Remote Similarity NPD6014 Approved
0.6486 Remote Similarity NPD6013 Approved
0.6481 Remote Similarity NPD5175 Approved
0.6481 Remote Similarity NPD5174 Approved
0.6476 Remote Similarity NPD5173 Approved
0.6465 Remote Similarity NPD3574 Clinical (unspecified phase)
0.646 Remote Similarity NPD6882 Approved
0.646 Remote Similarity NPD8297 Approved
0.6449 Remote Similarity NPD5223 Approved
0.6441 Remote Similarity NPD6921 Approved
0.6422 Remote Similarity NPD5141 Approved
0.6408 Remote Similarity NPD4202 Approved
0.6404 Remote Similarity NPD4632 Approved
0.6396 Remote Similarity NPD6011 Approved
0.6392 Remote Similarity NPD3667 Approved
0.6389 Remote Similarity NPD7632 Discontinued
0.6379 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6379 Remote Similarity NPD7115 Discovery
0.6372 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4767 Approved
0.6364 Remote Similarity NPD4768 Approved
0.6364 Remote Similarity NPD7507 Approved
0.6364 Remote Similarity NPD6920 Discontinued
0.6354 Remote Similarity NPD7525 Registered
0.633 Remote Similarity NPD4754 Approved
0.6321 Remote Similarity NPD6084 Phase 2
0.6321 Remote Similarity NPD6083 Phase 2
0.6316 Remote Similarity NPD4802 Phase 2
0.6316 Remote Similarity NPD4238 Approved
0.6286 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6275 Remote Similarity NPD4753 Phase 2
0.6261 Remote Similarity NPD8133 Approved
0.625 Remote Similarity NPD5128 Approved
0.625 Remote Similarity NPD4730 Approved
0.625 Remote Similarity NPD4729 Approved
0.6239 Remote Similarity NPD6009 Approved
0.6198 Remote Similarity NPD8328 Phase 3
0.6198 Remote Similarity NPD7604 Phase 2
0.6195 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6195 Remote Similarity NPD4061 Clinical (unspecified phase)
0.619 Remote Similarity NPD7748 Approved
0.6168 Remote Similarity NPD7902 Approved
0.6167 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6167 Remote Similarity NPD5983 Phase 2
0.6161 Remote Similarity NPD6412 Phase 2
0.6154 Remote Similarity NPD6940 Discontinued
0.6154 Remote Similarity NPD6274 Approved
0.6154 Remote Similarity NPD7515 Phase 2
0.614 Remote Similarity NPD5955 Clinical (unspecified phase)
0.614 Remote Similarity NPD5251 Approved
0.614 Remote Similarity NPD5247 Approved
0.614 Remote Similarity NPD5248 Approved
0.614 Remote Similarity NPD5249 Phase 3
0.614 Remote Similarity NPD5250 Approved
0.6134 Remote Similarity NPD7100 Approved
0.6134 Remote Similarity NPD7101 Approved
0.6132 Remote Similarity NPD4629 Approved
0.6132 Remote Similarity NPD5210 Approved
0.6132 Remote Similarity NPD7991 Discontinued
0.6126 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6126 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5696 Approved
0.61 Remote Similarity NPD3666 Approved
0.61 Remote Similarity NPD3665 Phase 1
0.61 Remote Similarity NPD3133 Approved
0.6098 Remote Similarity NPD6336 Discontinued
0.6087 Remote Similarity NPD5216 Approved
0.6087 Remote Similarity NPD5217 Approved
0.6087 Remote Similarity NPD5215 Approved
0.605 Remote Similarity NPD6335 Approved
0.6044 Remote Similarity NPD229 Approved
0.6038 Remote Similarity NPD5282 Discontinued
0.6033 Remote Similarity NPD6909 Approved
0.6033 Remote Similarity NPD6908 Approved
0.6017 Remote Similarity NPD6868 Approved
0.6 Remote Similarity NPD5135 Approved
0.6 Remote Similarity NPD7637 Suspended
0.6 Remote Similarity NPD6695 Phase 3
0.6 Remote Similarity NPD5169 Approved
0.6 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6 Remote Similarity NPD6411 Approved
0.5981 Remote Similarity NPD5695 Phase 3
0.5966 Remote Similarity NPD6317 Approved
0.5965 Remote Similarity NPD5168 Approved
0.5965 Remote Similarity NPD6415 Discontinued
0.596 Remote Similarity NPD1780 Approved
0.596 Remote Similarity NPD1779 Approved
0.5955 Remote Similarity NPD371 Approved
0.5948 Remote Similarity NPD5127 Approved
0.5941 Remote Similarity NPD3668 Phase 3
0.5941 Remote Similarity NPD7338 Clinical (unspecified phase)
0.5935 Remote Similarity NPD6067 Discontinued
0.5917 Remote Similarity NPD6314 Approved
0.5917 Remote Similarity NPD7328 Approved
0.5917 Remote Similarity NPD6313 Approved
0.5917 Remote Similarity NPD7327 Approved
0.5905 Remote Similarity NPD6700 Approved
0.5905 Remote Similarity NPD6701 Clinical (unspecified phase)
0.59 Remote Similarity NPD4223 Phase 3
0.59 Remote Similarity NPD4221 Approved
0.5897 Remote Similarity NPD6053 Discontinued
0.5888 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5888 Remote Similarity NPD6001 Approved

Structure

External Identifiers

PubChem CID   24814301
ChEMBL   CHEMBL3264666
ZINC  

Physicochemical Properties

Molecular Weight:  430.31
ALogP:  0.0331
MLogP:  3.99
XLogP:  5.102
# Rotatable Bonds:  10
Polar Surface Area:  63.6
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  31

Download Data

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