Natural Product: NPC477930

Natural Product ID:  NPC477930
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O4
Standard InCHIKey:  UUBNGVXGDKXQQJ-YNZDMMAESA-N
Standard InCHI:  InChI=1S/C20H32O4/c1-18-6-2-7-20(12-22,17(23)24)16(18)5-8-19-9-13(3-4-15(18)19)14(10-19)11-21/h13-16,21-22H,2-12H2,1H3,(H,23,24)/t13-,14-,15-,16-,18-,19-,20-/m0/s1
Canonical SMILES:  OC[C@@H]1C[C@@]23C[C@@H]1CC[C@H]3[C@]1([C@H](CC2)[C@@](CO)(CCC1)C(=O)O)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
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 = 7.81 % 24997688
NPT2 Others Unspecified IC50 > 10 ug/ml 24997688
NPT2 Others Unspecified Inhibition = 15.69 % 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 NPC477930 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
0.9714 High Similarity NPC477932
0.9714 High Similarity NPC477933
0.9571 High Similarity NPC477934
0.9412 High Similarity NPC319671
0.9412 High Similarity NPC476734
0.9412 High Similarity NPC469941
0.9412 High Similarity NPC252032
0.9306 High Similarity NPC477918
0.9275 High Similarity NPC477929
0.9143 High Similarity NPC469940
0.9 High Similarity NPC477850
0.8971 High Similarity NPC477931
0.8971 High Similarity NPC268736
0.8971 High Similarity NPC42060
0.8947 High Similarity NPC477935
0.8904 High Similarity NPC4209
0.8889 High Similarity NPC280026
0.8889 High Similarity NPC167702
0.8857 High Similarity NPC64466
0.8784 High Similarity NPC180199
0.8784 High Similarity NPC317913
0.8784 High Similarity NPC207010
0.8784 High Similarity NPC477919
0.8767 High Similarity NPC472311
0.8767 High Similarity NPC212733
0.8701 High Similarity NPC477936
0.8667 High Similarity NPC185465
0.8667 High Similarity NPC476732
0.8667 High Similarity NPC199965
0.8667 High Similarity NPC34046
0.8667 High Similarity NPC171426
0.8667 High Similarity NPC224802
0.8667 High Similarity NPC80089
0.8667 High Similarity NPC324700
0.8611 High Similarity NPC473267
0.8571 High Similarity NPC130459
0.8571 High Similarity NPC474221
0.8571 High Similarity NPC478180
0.8553 High Similarity NPC201276
0.8553 High Similarity NPC80891
0.8553 High Similarity NPC320144
0.8553 High Similarity NPC52951
0.8533 High Similarity NPC298168
0.8533 High Similarity NPC143133
0.85 High Similarity NPC302111
0.8481 Intermediate Similarity NPC319909
0.8481 Intermediate Similarity NPC473336
0.8481 Intermediate Similarity NPC471044
0.8472 Intermediate Similarity NPC108131
0.8472 Intermediate Similarity NPC476731
0.8421 Intermediate Similarity NPC329117
0.8395 Intermediate Similarity NPC252714
0.8395 Intermediate Similarity NPC134197
0.8375 Intermediate Similarity NPC201655
0.8356 Intermediate Similarity NPC58057
0.8356 Intermediate Similarity NPC156277
0.8356 Intermediate Similarity NPC320549
0.8356 Intermediate Similarity NPC151018
0.8333 Intermediate Similarity NPC196197
0.8333 Intermediate Similarity NPC474962
0.8333 Intermediate Similarity NPC12933
0.8293 Intermediate Similarity NPC183374
0.8293 Intermediate Similarity NPC211162
0.8289 Intermediate Similarity NPC264602
0.8243 Intermediate Similarity NPC310766
0.8243 Intermediate Similarity NPC232112
0.8228 Intermediate Similarity NPC121121
0.8228 Intermediate Similarity NPC61107
0.8228 Intermediate Similarity NPC30583
0.8228 Intermediate Similarity NPC289486
0.8205 Intermediate Similarity NPC472853
0.8205 Intermediate Similarity NPC261616
0.8193 Intermediate Similarity NPC56962
0.8193 Intermediate Similarity NPC57954
0.8193 Intermediate Similarity NPC24705
0.8193 Intermediate Similarity NPC213832
0.8158 Intermediate Similarity NPC246445
0.8133 Intermediate Similarity NPC472854
0.8133 Intermediate Similarity NPC254340
0.8125 Intermediate Similarity NPC259173
0.8125 Intermediate Similarity NPC15821
0.8108 Intermediate Similarity NPC472309
0.8101 Intermediate Similarity NPC58631
0.8082 Intermediate Similarity NPC321732
0.8082 Intermediate Similarity NPC327728
0.8082 Intermediate Similarity NPC6120
0.8082 Intermediate Similarity NPC131892
0.8082 Intermediate Similarity NPC213178
0.8082 Intermediate Similarity NPC324607
0.8077 Intermediate Similarity NPC472310
0.8072 Intermediate Similarity NPC471900
0.8072 Intermediate Similarity NPC146937
0.8052 Intermediate Similarity NPC474404
0.8052 Intermediate Similarity NPC471151
0.8049 Intermediate Similarity NPC92139
0.8049 Intermediate Similarity NPC80590
0.8026 Intermediate Similarity NPC132064
0.8026 Intermediate Similarity NPC179858
0.8026 Intermediate Similarity NPC21220
0.8026 Intermediate Similarity NPC97534
0.8026 Intermediate Similarity NPC195155
0.8026 Intermediate Similarity NPC24014
0.8026 Intermediate Similarity NPC273366
0.8026 Intermediate Similarity NPC125767
0.8026 Intermediate Similarity NPC27349
0.8026 Intermediate Similarity NPC174964
0.8025 Intermediate Similarity NPC50438
0.8 Intermediate Similarity NPC13494
0.7976 Intermediate Similarity NPC116146
0.7976 Intermediate Similarity NPC24772
0.7975 Intermediate Similarity NPC477851
0.7952 Intermediate Similarity NPC96496
0.7952 Intermediate Similarity NPC269360
0.7952 Intermediate Similarity NPC264005
0.7945 Intermediate Similarity NPC473225
0.7941 Intermediate Similarity NPC476735
0.7922 Intermediate Similarity NPC472487
0.7922 Intermediate Similarity NPC5767
0.7922 Intermediate Similarity NPC472486
0.7922 Intermediate Similarity NPC475742
0.7907 Intermediate Similarity NPC476189
0.7907 Intermediate Similarity NPC471902
0.7907 Intermediate Similarity NPC473690
0.7907 Intermediate Similarity NPC287118
0.7901 Intermediate Similarity NPC292458
0.7901 Intermediate Similarity NPC268578
0.7901 Intermediate Similarity NPC217559
0.7901 Intermediate Similarity NPC245866
0.7882 Intermediate Similarity NPC169933
0.7867 Intermediate Similarity NPC89310
0.7831 Intermediate Similarity NPC2783
0.7831 Intermediate Similarity NPC472272
0.7831 Intermediate Similarity NPC70661
0.7821 Intermediate Similarity NPC169389
0.7821 Intermediate Similarity NPC475031
0.7821 Intermediate Similarity NPC68828
0.7821 Intermediate Similarity NPC66105
0.7821 Intermediate Similarity NPC23884
0.7821 Intermediate Similarity NPC221420
0.7816 Intermediate Similarity NPC206878
0.7791 Intermediate Similarity NPC475416
0.7791 Intermediate Similarity NPC471901
0.7778 Intermediate Similarity NPC242771
0.7778 Intermediate Similarity NPC311642
0.7778 Intermediate Similarity NPC164289
0.7778 Intermediate Similarity NPC328007
0.7778 Intermediate Similarity NPC100366
0.7778 Intermediate Similarity NPC317066
0.7763 Intermediate Similarity NPC161187
0.7763 Intermediate Similarity NPC330659
0.7763 Intermediate Similarity NPC244708
0.775 Intermediate Similarity NPC470609
0.7738 Intermediate Similarity NPC33768
0.7738 Intermediate Similarity NPC263802
0.7727 Intermediate Similarity NPC263135
0.7727 Intermediate Similarity NPC288906
0.7727 Intermediate Similarity NPC266431
0.7727 Intermediate Similarity NPC62407
0.7727 Intermediate Similarity NPC205173
0.7727 Intermediate Similarity NPC287354
0.7722 Intermediate Similarity NPC472608
0.7722 Intermediate Similarity NPC26029
0.7711 Intermediate Similarity NPC473350
0.7711 Intermediate Similarity NPC131350
0.7711 Intermediate Similarity NPC264317
0.7711 Intermediate Similarity NPC294438
0.7703 Intermediate Similarity NPC470956
0.7703 Intermediate Similarity NPC469724
0.7703 Intermediate Similarity NPC281203
0.7703 Intermediate Similarity NPC2568
0.7703 Intermediate Similarity NPC103647
0.7703 Intermediate Similarity NPC474954
0.7703 Intermediate Similarity NPC260319
0.7703 Intermediate Similarity NPC180777
0.7703 Intermediate Similarity NPC100917
0.7703 Intermediate Similarity NPC31187
0.7692 Intermediate Similarity NPC474020
0.7692 Intermediate Similarity NPC471046
0.7683 Intermediate Similarity NPC471037
0.7683 Intermediate Similarity NPC472744
0.7683 Intermediate Similarity NPC327451
0.7662 Intermediate Similarity NPC317212
0.7662 Intermediate Similarity NPC472945
0.7662 Intermediate Similarity NPC133922
0.7662 Intermediate Similarity NPC472944
0.7654 Intermediate Similarity NPC469745
0.7647 Intermediate Similarity NPC474719
0.7647 Intermediate Similarity NPC16377
0.764 Intermediate Similarity NPC234564
0.764 Intermediate Similarity NPC116683
0.7632 Intermediate Similarity NPC197701
0.7632 Intermediate Similarity NPC478227
0.7625 Intermediate Similarity NPC192744
0.7625 Intermediate Similarity NPC201459
0.7619 Intermediate Similarity NPC12774
0.7619 Intermediate Similarity NPC83242
0.7595 Intermediate Similarity NPC171658
0.759 Intermediate Similarity NPC263974
0.759 Intermediate Similarity NPC219535
0.759 Intermediate Similarity NPC473299

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477930 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
0.8904 High Similarity NPD6117 Approved
0.8889 High Similarity NPD6113 Clinical (unspecified phase)
0.8784 High Similarity NPD6116 Phase 1
0.8667 High Similarity NPD6114 Approved
0.8667 High Similarity NPD6115 Approved
0.8667 High Similarity NPD6697 Approved
0.8667 High Similarity NPD6118 Approved
0.8611 High Similarity NPD6081 Approved
0.8472 Intermediate Similarity NPD4789 Approved
0.8429 Intermediate Similarity NPD4224 Phase 2
0.8356 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.8356 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8286 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.8219 Intermediate Similarity NPD4245 Approved
0.8219 Intermediate Similarity NPD4244 Approved
0.8082 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD3698 Phase 2
0.8082 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.8026 Intermediate Similarity NPD3702 Approved
0.7945 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7945 Intermediate Similarity NPD5360 Phase 3
0.7867 Intermediate Similarity NPD5777 Approved
0.7711 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD3703 Phase 2
0.7403 Intermediate Similarity NPD4758 Discontinued
0.7368 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.7284 Intermediate Similarity NPD5364 Discontinued
0.7284 Intermediate Similarity NPD3671 Phase 1
0.7262 Intermediate Similarity NPD4788 Approved
0.7191 Intermediate Similarity NPD8034 Phase 2
0.7191 Intermediate Similarity NPD8035 Phase 2
0.7083 Intermediate Similarity NPD3198 Approved
0.6989 Remote Similarity NPD6083 Phase 2
0.6989 Remote Similarity NPD6084 Phase 2
0.6977 Remote Similarity NPD4786 Approved
0.6923 Remote Similarity NPD6399 Phase 3
0.6857 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6842 Remote Similarity NPD8418 Phase 2
0.6835 Remote Similarity NPD4787 Phase 1
0.6778 Remote Similarity NPD4753 Phase 2
0.6744 Remote Similarity NPD3667 Approved
0.6667 Remote Similarity NPD5737 Approved
0.6667 Remote Similarity NPD6672 Approved
0.663 Remote Similarity NPD7515 Phase 2
0.6596 Remote Similarity NPD5695 Phase 3
0.6593 Remote Similarity NPD5328 Approved
0.6591 Remote Similarity NPD3666 Approved
0.6591 Remote Similarity NPD3665 Phase 1
0.6591 Remote Similarity NPD3133 Approved
0.6582 Remote Similarity NPD6705 Phase 1
0.6562 Remote Similarity NPD5696 Approved
0.65 Remote Similarity NPD7128 Approved
0.65 Remote Similarity NPD5739 Approved
0.65 Remote Similarity NPD6402 Approved
0.65 Remote Similarity NPD6675 Approved
0.6484 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4802 Phase 2
0.6471 Remote Similarity NPD3617 Approved
0.6471 Remote Similarity NPD4238 Approved
0.6452 Remote Similarity NPD6079 Approved
0.6444 Remote Similarity NPD7334 Approved
0.6444 Remote Similarity NPD6409 Approved
0.6444 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6444 Remote Similarity NPD5330 Approved
0.6444 Remote Similarity NPD3618 Phase 1
0.6444 Remote Similarity NPD7146 Approved
0.6444 Remote Similarity NPD7521 Approved
0.6444 Remote Similarity NPD6684 Approved
0.6421 Remote Similarity NPD4629 Approved
0.6421 Remote Similarity NPD5210 Approved
0.64 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7638 Approved
0.6389 Remote Similarity NPD615 Clinical (unspecified phase)
0.6373 Remote Similarity NPD6899 Approved
0.6373 Remote Similarity NPD7320 Approved
0.6373 Remote Similarity NPD6881 Approved
0.6364 Remote Similarity NPD4223 Phase 3
0.6364 Remote Similarity NPD4221 Approved
0.6333 Remote Similarity NPD5329 Approved
0.6327 Remote Similarity NPD7640 Approved
0.6327 Remote Similarity NPD7639 Approved
0.6322 Remote Similarity NPD6928 Phase 2
0.6322 Remote Similarity NPD7525 Registered
0.6316 Remote Similarity NPD7748 Approved
0.6311 Remote Similarity NPD6372 Approved
0.6311 Remote Similarity NPD6373 Approved
0.6304 Remote Similarity NPD6903 Approved
0.6289 Remote Similarity NPD4755 Approved
0.6282 Remote Similarity NPD7909 Approved
0.6279 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6277 Remote Similarity NPD6411 Approved
0.6277 Remote Similarity NPD5284 Approved
0.6277 Remote Similarity NPD5281 Approved
0.6277 Remote Similarity NPD7637 Suspended
0.6275 Remote Similarity NPD5701 Approved
0.6275 Remote Similarity NPD5697 Approved
0.6264 Remote Similarity NPD6098 Approved
0.6264 Remote Similarity NPD5279 Phase 3
0.625 Remote Similarity NPD7102 Approved
0.625 Remote Similarity NPD6883 Approved
0.625 Remote Similarity NPD7290 Approved
0.625 Remote Similarity NPD4692 Approved
0.625 Remote Similarity NPD4139 Approved
0.6237 Remote Similarity NPD6904 Approved
0.6237 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6237 Remote Similarity NPD6673 Approved
0.6237 Remote Similarity NPD6080 Approved
0.6222 Remote Similarity NPD3668 Phase 3
0.6222 Remote Similarity NPD4197 Approved
0.6211 Remote Similarity NPD4202 Approved
0.6204 Remote Similarity NPD7115 Discovery
0.62 Remote Similarity NPD7632 Discontinued
0.6197 Remote Similarity NPD9638 Phase 2
0.619 Remote Similarity NPD6650 Approved
0.619 Remote Similarity NPD6847 Approved
0.619 Remote Similarity NPD8130 Phase 1
0.619 Remote Similarity NPD6869 Approved
0.619 Remote Similarity NPD6617 Approved
0.619 Remote Similarity NPD6649 Approved
0.6186 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6186 Remote Similarity NPD5222 Approved
0.6186 Remote Similarity NPD4697 Phase 3
0.6186 Remote Similarity NPD5221 Approved
0.6176 Remote Similarity NPD634 Phase 3
0.6162 Remote Similarity NPD5286 Approved
0.6162 Remote Similarity NPD5285 Approved
0.6162 Remote Similarity NPD4700 Approved
0.6162 Remote Similarity NPD4696 Approved
0.6154 Remote Similarity NPD6012 Approved
0.6154 Remote Similarity NPD6013 Approved
0.6154 Remote Similarity NPD6014 Approved
0.6132 Remote Similarity NPD6882 Approved
0.6132 Remote Similarity NPD8297 Approved
0.6125 Remote Similarity NPD375 Phase 2
0.6122 Remote Similarity NPD7902 Approved
0.6122 Remote Similarity NPD5173 Approved
0.6118 Remote Similarity NPD6942 Approved
0.6118 Remote Similarity NPD7339 Approved
0.6111 Remote Similarity NPD6940 Discontinued
0.6111 Remote Similarity NPD3186 Phase 1
0.61 Remote Similarity NPD1700 Approved
0.6098 Remote Similarity NPD3725 Approved
0.6098 Remote Similarity NPD3726 Approved
0.6087 Remote Similarity NPD4690 Approved
0.6087 Remote Similarity NPD4688 Approved
0.6087 Remote Similarity NPD4689 Approved
0.6087 Remote Similarity NPD4693 Phase 3
0.6087 Remote Similarity NPD4138 Approved
0.6087 Remote Similarity NPD5205 Approved
0.6082 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6075 Remote Similarity NPD8133 Approved
0.6075 Remote Similarity NPD8298 Phase 2
0.6067 Remote Similarity NPD5369 Approved
0.6064 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6064 Remote Similarity NPD6101 Approved
0.6058 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6058 Remote Similarity NPD6011 Approved
0.604 Remote Similarity NPD5211 Phase 2
0.604 Remote Similarity NPD5224 Approved
0.604 Remote Similarity NPD5225 Approved
0.604 Remote Similarity NPD5226 Approved
0.604 Remote Similarity NPD4633 Approved
0.6038 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6019 Remote Similarity NPD6920 Discontinued
0.6 Remote Similarity NPD4269 Approved
0.6 Remote Similarity NPD2266 Phase 2
0.6 Remote Similarity NPD4270 Approved
0.6 Remote Similarity NPD4752 Clinical (unspecified phase)
0.598 Remote Similarity NPD5174 Approved
0.598 Remote Similarity NPD5175 Approved
0.5976 Remote Similarity NPD229 Approved
0.5962 Remote Similarity NPD6412 Phase 2
0.5957 Remote Similarity NPD5208 Approved
0.5957 Remote Similarity NPD4264 Clinical (unspecified phase)
0.5955 Remote Similarity NPD5368 Approved
0.5943 Remote Similarity NPD4634 Approved
0.5941 Remote Similarity NPD5223 Approved
0.5938 Remote Similarity NPD6050 Approved
0.5938 Remote Similarity NPD5693 Phase 1
0.5922 Remote Similarity NPD5141 Approved
0.5914 Remote Similarity NPD4694 Approved
0.5914 Remote Similarity NPD5690 Phase 2
0.5914 Remote Similarity NPD5280 Approved
0.5893 Remote Similarity NPD6319 Approved
0.5876 Remote Similarity NPD8171 Discontinued
0.5865 Remote Similarity NPD4767 Approved
0.5865 Remote Similarity NPD4768 Approved
0.5862 Remote Similarity NPD3701 Clinical (unspecified phase)
0.5859 Remote Similarity NPD7614 Phase 1
0.5842 Remote Similarity NPD6404 Discontinued
0.5833 Remote Similarity NPD5785 Approved
0.5833 Remote Similarity NPD5692 Phase 3
0.5826 Remote Similarity NPD7492 Approved
0.5825 Remote Similarity NPD4754 Approved
0.5824 Remote Similarity NPD6435 Approved
0.5818 Remote Similarity NPD6868 Approved
0.5818 Remote Similarity NPD6274 Approved
0.5816 Remote Similarity NPD7900 Approved
0.5816 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5814 Remote Similarity NPD6926 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3315239
ZINC  

Physicochemical Properties

Molecular Weight:  336.23
ALogP:  -1.1702
MLogP:  3.22
XLogP:  4.442
# Rotatable Bonds:  7
Polar Surface Area:  77.76
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  24

Download Data

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