Natural Product: NPC477933

Natural Product ID:  NPC477933
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H38O5
Standard InCHIKey:  FSQYXTHPPSJGNG-NWFWWTBRSA-N
Standard InCHI:  InChI=1S/C24H38O5/c1-15(2)20(26)29-13-17-12-23-10-7-19-22(3,18(23)6-5-16(17)11-23)8-4-9-24(19,14-25)21(27)28/h15-19,25H,4-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19-,22-,23-,24-/m0/s1
Canonical SMILES:  OC[C@]1(CCC[C@@]2([C@@H]1CC[C@]13[C@H]2CC[C@@H](C1)[C@@H](C3)COC(=O)C(C)C)C)C(=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
NPO30031 Siegesbeckia pubescens Species Asteraceae Eukaryota aerial part PMID[24997688]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 66.95 % 24997688
NPT2 Others Unspecified IC50 = 6.74 ug/ml 24997688
NPT2 Others Unspecified Inhibition = 83.15 % 24997688
NPT2 Others Unspecified IC50 = 4.73 ug/ml 24997688

  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 NPC477933 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
1.0 High Similarity NPC477932
0.9857 High Similarity NPC477934
0.9714 High Similarity NPC477930
0.9583 High Similarity NPC477918
0.9429 High Similarity NPC469940
0.9286 High Similarity NPC477929
0.9211 High Similarity NPC477935
0.9143 High Similarity NPC252032
0.9143 High Similarity NPC319671
0.9143 High Similarity NPC476734
0.9143 High Similarity NPC469941
0.8961 High Similarity NPC477936
0.875 High Similarity NPC477850
0.8734 High Similarity NPC471044
0.8734 High Similarity NPC319909
0.8734 High Similarity NPC473336
0.8714 High Similarity NPC268736
0.8714 High Similarity NPC42060
0.8714 High Similarity NPC477931
0.8684 High Similarity NPC476732
0.8684 High Similarity NPC199965
0.8667 High Similarity NPC4209
0.8649 High Similarity NPC280026
0.8649 High Similarity NPC167702
0.8611 High Similarity NPC64466
0.8571 High Similarity NPC201276
0.8571 High Similarity NPC80891
0.8553 High Similarity NPC180199
0.8553 High Similarity NPC207010
0.8553 High Similarity NPC477919
0.8553 High Similarity NPC317913
0.8533 High Similarity NPC212733
0.8533 High Similarity NPC472311
0.8481 Intermediate Similarity NPC61107
0.8481 Intermediate Similarity NPC289486
0.8462 Intermediate Similarity NPC261616
0.8462 Intermediate Similarity NPC472853
0.8442 Intermediate Similarity NPC34046
0.8442 Intermediate Similarity NPC324700
0.8442 Intermediate Similarity NPC224802
0.8442 Intermediate Similarity NPC171426
0.8442 Intermediate Similarity NPC80089
0.8442 Intermediate Similarity NPC185465
0.8415 Intermediate Similarity NPC252714
0.8415 Intermediate Similarity NPC134197
0.8378 Intermediate Similarity NPC473267
0.8375 Intermediate Similarity NPC15821
0.8375 Intermediate Similarity NPC259173
0.8354 Intermediate Similarity NPC58631
0.8333 Intermediate Similarity NPC130459
0.8333 Intermediate Similarity NPC478180
0.8333 Intermediate Similarity NPC474221
0.8333 Intermediate Similarity NPC52951
0.8333 Intermediate Similarity NPC320144
0.8312 Intermediate Similarity NPC474404
0.8312 Intermediate Similarity NPC298168
0.8312 Intermediate Similarity NPC143133
0.8312 Intermediate Similarity NPC471151
0.8293 Intermediate Similarity NPC92139
0.8293 Intermediate Similarity NPC302111
0.8289 Intermediate Similarity NPC179858
0.825 Intermediate Similarity NPC13494
0.8243 Intermediate Similarity NPC108131
0.8243 Intermediate Similarity NPC476731
0.8205 Intermediate Similarity NPC329117
0.8171 Intermediate Similarity NPC201655
0.8148 Intermediate Similarity NPC217559
0.8148 Intermediate Similarity NPC292458
0.8148 Intermediate Similarity NPC268578
0.814 Intermediate Similarity NPC476189
0.814 Intermediate Similarity NPC471902
0.814 Intermediate Similarity NPC473690
0.814 Intermediate Similarity NPC287118
0.8133 Intermediate Similarity NPC58057
0.8133 Intermediate Similarity NPC151018
0.8133 Intermediate Similarity NPC320549
0.8133 Intermediate Similarity NPC156277
0.8125 Intermediate Similarity NPC12933
0.8108 Intermediate Similarity NPC196197
0.8108 Intermediate Similarity NPC474962
0.8095 Intermediate Similarity NPC183374
0.8095 Intermediate Similarity NPC211162
0.8077 Intermediate Similarity NPC264602
0.8046 Intermediate Similarity NPC206878
0.8026 Intermediate Similarity NPC232112
0.8026 Intermediate Similarity NPC310766
0.8025 Intermediate Similarity NPC30583
0.8025 Intermediate Similarity NPC121121
0.8025 Intermediate Similarity NPC311642
0.8025 Intermediate Similarity NPC100366
0.8025 Intermediate Similarity NPC164289
0.8025 Intermediate Similarity NPC242771
0.8023 Intermediate Similarity NPC475416
0.8023 Intermediate Similarity NPC471901
0.8 Intermediate Similarity NPC213832
0.8 Intermediate Similarity NPC56962
0.8 Intermediate Similarity NPC57954
0.8 Intermediate Similarity NPC24705
0.7955 Intermediate Similarity NPC287354
0.7955 Intermediate Similarity NPC205173
0.7955 Intermediate Similarity NPC62407
0.7952 Intermediate Similarity NPC473350
0.7949 Intermediate Similarity NPC471046
0.7949 Intermediate Similarity NPC474020
0.7949 Intermediate Similarity NPC246445
0.7927 Intermediate Similarity NPC472744
0.7927 Intermediate Similarity NPC471037
0.7922 Intermediate Similarity NPC254340
0.7922 Intermediate Similarity NPC472854
0.7922 Intermediate Similarity NPC472945
0.7922 Intermediate Similarity NPC472944
0.7895 Intermediate Similarity NPC472309
0.7895 Intermediate Similarity NPC197701
0.7895 Intermediate Similarity NPC478227
0.7882 Intermediate Similarity NPC146937
0.7882 Intermediate Similarity NPC471900
0.7875 Intermediate Similarity NPC472310
0.7867 Intermediate Similarity NPC321732
0.7867 Intermediate Similarity NPC213178
0.7867 Intermediate Similarity NPC327728
0.7867 Intermediate Similarity NPC131892
0.7867 Intermediate Similarity NPC6120
0.7867 Intermediate Similarity NPC324607
0.7865 Intermediate Similarity NPC116683
0.7857 Intermediate Similarity NPC80590
0.7857 Intermediate Similarity NPC83242
0.7848 Intermediate Similarity NPC171658
0.7848 Intermediate Similarity NPC169389
0.7831 Intermediate Similarity NPC473299
0.7831 Intermediate Similarity NPC477434
0.7831 Intermediate Similarity NPC50438
0.7831 Intermediate Similarity NPC219535
0.7831 Intermediate Similarity NPC237938
0.7821 Intermediate Similarity NPC27349
0.7821 Intermediate Similarity NPC174964
0.7821 Intermediate Similarity NPC195155
0.7821 Intermediate Similarity NPC21220
0.7821 Intermediate Similarity NPC125767
0.7821 Intermediate Similarity NPC24014
0.7821 Intermediate Similarity NPC132064
0.7821 Intermediate Similarity NPC97534
0.7821 Intermediate Similarity NPC273366
0.7805 Intermediate Similarity NPC102156
0.7805 Intermediate Similarity NPC148740
0.7791 Intermediate Similarity NPC61688
0.7791 Intermediate Similarity NPC474570
0.7791 Intermediate Similarity NPC24772
0.7791 Intermediate Similarity NPC116146
0.7791 Intermediate Similarity NPC200580
0.7778 Intermediate Similarity NPC477851
0.7778 Intermediate Similarity NPC1882
0.7778 Intermediate Similarity NPC253586
0.7765 Intermediate Similarity NPC33768
0.7765 Intermediate Similarity NPC264005
0.7765 Intermediate Similarity NPC96496
0.7765 Intermediate Similarity NPC269360
0.7753 Intermediate Similarity NPC210214
0.775 Intermediate Similarity NPC31031
0.775 Intermediate Similarity NPC243594
0.775 Intermediate Similarity NPC471045
0.7733 Intermediate Similarity NPC473225
0.7722 Intermediate Similarity NPC475742
0.7722 Intermediate Similarity NPC472486
0.7722 Intermediate Similarity NPC472487
0.7722 Intermediate Similarity NPC5767
0.7714 Intermediate Similarity NPC476735
0.7711 Intermediate Similarity NPC472847
0.7711 Intermediate Similarity NPC245866
0.7701 Intermediate Similarity NPC77756
0.7701 Intermediate Similarity NPC169933
0.7683 Intermediate Similarity NPC280781
0.7683 Intermediate Similarity NPC271572
0.7683 Intermediate Similarity NPC474870
0.7683 Intermediate Similarity NPC48756
0.7674 Intermediate Similarity NPC255176
0.7674 Intermediate Similarity NPC56413
0.7674 Intermediate Similarity NPC4309
0.7667 Intermediate Similarity NPC327788
0.7662 Intermediate Similarity NPC89310
0.7654 Intermediate Similarity NPC31302
0.7654 Intermediate Similarity NPC245029
0.7654 Intermediate Similarity NPC220379
0.7647 Intermediate Similarity NPC103782
0.7647 Intermediate Similarity NPC472272
0.7647 Intermediate Similarity NPC474448
0.7647 Intermediate Similarity NPC2783
0.7647 Intermediate Similarity NPC472505
0.7647 Intermediate Similarity NPC12774
0.7647 Intermediate Similarity NPC472745
0.7647 Intermediate Similarity NPC70661
0.7647 Intermediate Similarity NPC114378
0.764 Intermediate Similarity NPC47853
0.7639 Intermediate Similarity NPC306750
0.7632 Intermediate Similarity NPC295788
0.7632 Intermediate Similarity NPC178541
0.7625 Intermediate Similarity NPC475031
0.7625 Intermediate Similarity NPC212453
0.7625 Intermediate Similarity NPC307865
0.7625 Intermediate Similarity NPC68828
0.7625 Intermediate Similarity NPC23884

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477933 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
0.8667 High Similarity NPD6117 Approved
0.8649 High Similarity NPD6113 Clinical (unspecified phase)
0.8553 High Similarity NPD6116 Phase 1
0.8442 Intermediate Similarity NPD6697 Approved
0.8442 Intermediate Similarity NPD6115 Approved
0.8442 Intermediate Similarity NPD6118 Approved
0.8442 Intermediate Similarity NPD6114 Approved
0.8378 Intermediate Similarity NPD6081 Approved
0.8289 Intermediate Similarity NPD3702 Approved
0.8243 Intermediate Similarity NPD4789 Approved
0.8194 Intermediate Similarity NPD4224 Phase 2
0.8133 Intermediate Similarity NPD5777 Approved
0.8133 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8133 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8056 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4244 Approved
0.8 Intermediate Similarity NPD4245 Approved
0.7867 Intermediate Similarity NPD3698 Phase 2
0.7867 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD5360 Phase 3
0.7529 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD8035 Phase 2
0.7416 Intermediate Similarity NPD8034 Phase 2
0.7375 Intermediate Similarity NPD3703 Phase 2
0.7215 Intermediate Similarity NPD4758 Discontinued
0.7204 Intermediate Similarity NPD6083 Phase 2
0.7204 Intermediate Similarity NPD6084 Phase 2
0.7179 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6399 Phase 3
0.7108 Intermediate Similarity NPD5364 Discontinued
0.7108 Intermediate Similarity NPD3671 Phase 1
0.7093 Intermediate Similarity NPD4788 Approved
0.6892 Remote Similarity NPD3198 Approved
0.6889 Remote Similarity NPD6672 Approved
0.6889 Remote Similarity NPD5737 Approved
0.6818 Remote Similarity NPD4786 Approved
0.6809 Remote Similarity NPD5695 Phase 3
0.6771 Remote Similarity NPD5696 Approved
0.6706 Remote Similarity NPD4238 Approved
0.6706 Remote Similarity NPD4802 Phase 2
0.6703 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6701 Remote Similarity NPD8418 Phase 2
0.67 Remote Similarity NPD5739 Approved
0.67 Remote Similarity NPD6402 Approved
0.67 Remote Similarity NPD7128 Approved
0.67 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4787 Phase 1
0.6667 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD5330 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD7334 Approved
0.6667 Remote Similarity NPD6409 Approved
0.6667 Remote Similarity NPD6684 Approved
0.663 Remote Similarity NPD4753 Phase 2
0.66 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6598 Remote Similarity NPD7638 Approved
0.6591 Remote Similarity NPD3667 Approved
0.6569 Remote Similarity NPD6881 Approved
0.6569 Remote Similarity NPD7320 Approved
0.6569 Remote Similarity NPD6899 Approved
0.6552 Remote Similarity NPD6928 Phase 2
0.6531 Remote Similarity NPD7640 Approved
0.6531 Remote Similarity NPD7639 Approved
0.6526 Remote Similarity NPD7748 Approved
0.6522 Remote Similarity NPD6903 Approved
0.6505 Remote Similarity NPD6372 Approved
0.6505 Remote Similarity NPD6373 Approved
0.6489 Remote Similarity NPD7637 Suspended
0.6489 Remote Similarity NPD7515 Phase 2
0.6489 Remote Similarity NPD6411 Approved
0.6484 Remote Similarity NPD6098 Approved
0.6471 Remote Similarity NPD5697 Approved
0.6471 Remote Similarity NPD5701 Approved
0.6452 Remote Similarity NPD6673 Approved
0.6452 Remote Similarity NPD6904 Approved
0.6452 Remote Similarity NPD6080 Approved
0.6452 Remote Similarity NPD5328 Approved
0.6444 Remote Similarity NPD3666 Approved
0.6444 Remote Similarity NPD3665 Phase 1
0.6444 Remote Similarity NPD3133 Approved
0.6442 Remote Similarity NPD6883 Approved
0.6442 Remote Similarity NPD7290 Approved
0.6442 Remote Similarity NPD7102 Approved
0.642 Remote Similarity NPD6705 Phase 1
0.64 Remote Similarity NPD7632 Discontinued
0.6389 Remote Similarity NPD7115 Discovery
0.6381 Remote Similarity NPD6869 Approved
0.6381 Remote Similarity NPD6650 Approved
0.6381 Remote Similarity NPD8130 Phase 1
0.6381 Remote Similarity NPD6649 Approved
0.6381 Remote Similarity NPD6847 Approved
0.6381 Remote Similarity NPD6617 Approved
0.6346 Remote Similarity NPD6014 Approved
0.6346 Remote Similarity NPD6013 Approved
0.6346 Remote Similarity NPD6012 Approved
0.6341 Remote Similarity NPD3726 Approved
0.6341 Remote Similarity NPD3725 Approved
0.6327 Remote Similarity NPD7902 Approved
0.6322 Remote Similarity NPD3617 Approved
0.6321 Remote Similarity NPD8297 Approved
0.6321 Remote Similarity NPD6882 Approved
0.6316 Remote Similarity NPD6079 Approved
0.6304 Remote Similarity NPD3618 Phase 1
0.6304 Remote Similarity NPD3574 Clinical (unspecified phase)
0.63 Remote Similarity NPD1700 Approved
0.6296 Remote Similarity NPD6940 Discontinued
0.6289 Remote Similarity NPD4629 Approved
0.6289 Remote Similarity NPD5210 Approved
0.6289 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6286 Remote Similarity NPD2266 Phase 2
0.6277 Remote Similarity NPD6101 Approved
0.6277 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6262 Remote Similarity NPD8133 Approved
0.625 Remote Similarity NPD6011 Approved
0.625 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6222 Remote Similarity NPD4223 Phase 3
0.6222 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6222 Remote Similarity NPD4221 Approved
0.622 Remote Similarity NPD229 Approved
0.6216 Remote Similarity NPD615 Clinical (unspecified phase)
0.6214 Remote Similarity NPD6920 Discontinued
0.6196 Remote Similarity NPD5329 Approved
0.618 Remote Similarity NPD7525 Registered
0.617 Remote Similarity NPD5208 Approved
0.617 Remote Similarity NPD4264 Clinical (unspecified phase)
0.6162 Remote Similarity NPD4755 Approved
0.6154 Remote Similarity NPD6412 Phase 2
0.6146 Remote Similarity NPD6050 Approved
0.6146 Remote Similarity NPD5284 Approved
0.6146 Remote Similarity NPD5281 Approved
0.6146 Remote Similarity NPD5693 Phase 1
0.6136 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6129 Remote Similarity NPD5279 Phase 3
0.6125 Remote Similarity NPD7909 Approved
0.6111 Remote Similarity NPD4692 Approved
0.6111 Remote Similarity NPD4139 Approved
0.6111 Remote Similarity NPD5369 Approved
0.6105 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6087 Remote Similarity NPD4197 Approved
0.6087 Remote Similarity NPD3668 Phase 3
0.6082 Remote Similarity NPD4202 Approved
0.6082 Remote Similarity NPD8171 Discontinued
0.6071 Remote Similarity NPD6319 Approved
0.6061 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6061 Remote Similarity NPD5222 Approved
0.6061 Remote Similarity NPD5221 Approved
0.6061 Remote Similarity NPD4697 Phase 3
0.6044 Remote Similarity NPD6435 Approved
0.6042 Remote Similarity NPD5692 Phase 3
0.604 Remote Similarity NPD4700 Approved
0.604 Remote Similarity NPD5286 Approved
0.604 Remote Similarity NPD5285 Approved
0.604 Remote Similarity NPD4696 Approved
0.6027 Remote Similarity NPD9638 Phase 2
0.602 Remote Similarity NPD7900 Approved
0.602 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6 Remote Similarity NPD7492 Approved
0.6 Remote Similarity NPD3728 Approved
0.6 Remote Similarity NPD6274 Approved
0.6 Remote Similarity NPD634 Phase 3
0.6 Remote Similarity NPD5173 Approved
0.6 Remote Similarity NPD6868 Approved
0.6 Remote Similarity NPD3730 Approved
0.5983 Remote Similarity NPD7736 Approved
0.5982 Remote Similarity NPD7101 Approved
0.5982 Remote Similarity NPD7100 Approved
0.5979 Remote Similarity NPD5694 Approved
0.5977 Remote Similarity NPD6942 Approved
0.5977 Remote Similarity NPD7339 Approved
0.5977 Remote Similarity NPD2257 Approved
0.5976 Remote Similarity NPD375 Phase 2
0.5963 Remote Similarity NPD8298 Phase 2
0.5957 Remote Similarity NPD5205 Approved
0.5957 Remote Similarity NPD4688 Approved
0.5957 Remote Similarity NPD4689 Approved
0.5957 Remote Similarity NPD4690 Approved
0.5957 Remote Similarity NPD4138 Approved
0.5957 Remote Similarity NPD4693 Phase 3
0.5948 Remote Similarity NPD6616 Approved
0.5946 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5946 Remote Similarity NPD3186 Phase 1
0.5943 Remote Similarity NPD6686 Approved
0.5943 Remote Similarity NPD6415 Discontinued
0.5941 Remote Similarity NPD4225 Approved
0.5938 Remote Similarity NPD6051 Approved
0.5932 Remote Similarity NPD7319 Approved
0.5929 Remote Similarity NPD6054 Approved
0.5929 Remote Similarity NPD6059 Approved
0.5922 Remote Similarity NPD5226 Approved
0.5922 Remote Similarity NPD5224 Approved
0.5922 Remote Similarity NPD5211 Phase 2
0.5922 Remote Similarity NPD5225 Approved
0.5922 Remote Similarity NPD4633 Approved
0.5918 Remote Similarity NPD5778 Approved
0.5918 Remote Similarity NPD5779 Approved
0.5897 Remote Similarity NPD7078 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3315242
ZINC  

Physicochemical Properties

Molecular Weight:  406.27
ALogP:  -0.0667
MLogP:  3.55
XLogP:  5.728
# Rotatable Bonds:  11
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  29

Download Data

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