Natural Product: NPC477934

Natural Product ID:  NPC477934
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C26H40O6
Standard InCHIKey:  YXAGJAFSQKHJEB-FZPUJETFSA-N
Standard InCHI:  InChI=1S/C26H40O6/c1-16(2)22(28)31-14-19-13-25-11-8-21-24(4,20(25)7-6-18(19)12-25)9-5-10-26(21,23(29)30)15-32-17(3)27/h16,18-21H,5-15H2,1-4H3,(H,29,30)/t18-,19-,20-,21-,24-,25-,26-/m0/s1
Canonical SMILES:  CC(=O)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 = 35.16 % 24997688
NPT2 Others Unspecified IC50 > 10 ug/ml 24997688
NPT2 Others Unspecified Inhibition = 77.75 % 24997688
NPT2 Others Unspecified IC50 = 3.64 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 NPC477934 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
0.9857 High Similarity NPC477933
0.9857 High Similarity NPC477932
0.9718 High Similarity NPC477918
0.9571 High Similarity NPC477930
0.9565 High Similarity NPC469940
0.9143 High Similarity NPC477929
0.9079 High Similarity NPC477935
0.9079 High Similarity NPC477936
0.9 High Similarity NPC476734
0.9 High Similarity NPC469941
0.9 High Similarity NPC319671
0.9 High Similarity NPC252032
0.8846 High Similarity NPC319909
0.8841 High Similarity NPC268736
0.8841 High Similarity NPC477931
0.8841 High Similarity NPC42060
0.8732 High Similarity NPC64466
0.8611 High Similarity NPC477850
0.8608 High Similarity NPC471044
0.8608 High Similarity NPC473336
0.8571 High Similarity NPC261616
0.8571 High Similarity NPC472853
0.8553 High Similarity NPC199965
0.8553 High Similarity NPC476732
0.8533 High Similarity NPC4209
0.8514 High Similarity NPC280026
0.8514 High Similarity NPC167702
0.8481 Intermediate Similarity NPC15821
0.8451 Intermediate Similarity NPC130459
0.8451 Intermediate Similarity NPC474221
0.8451 Intermediate Similarity NPC478180
0.8442 Intermediate Similarity NPC80891
0.8442 Intermediate Similarity NPC201276
0.8421 Intermediate Similarity NPC474404
0.8421 Intermediate Similarity NPC471151
0.8421 Intermediate Similarity NPC317913
0.8421 Intermediate Similarity NPC207010
0.8421 Intermediate Similarity NPC180199
0.8421 Intermediate Similarity NPC477919
0.84 Intermediate Similarity NPC472311
0.84 Intermediate Similarity NPC212733
0.8356 Intermediate Similarity NPC108131
0.8354 Intermediate Similarity NPC61107
0.8354 Intermediate Similarity NPC289486
0.8354 Intermediate Similarity NPC13494
0.8312 Intermediate Similarity NPC80089
0.8312 Intermediate Similarity NPC324700
0.8312 Intermediate Similarity NPC329117
0.8312 Intermediate Similarity NPC224802
0.8312 Intermediate Similarity NPC34046
0.8312 Intermediate Similarity NPC185465
0.8312 Intermediate Similarity NPC171426
0.8293 Intermediate Similarity NPC134197
0.8293 Intermediate Similarity NPC252714
0.825 Intermediate Similarity NPC259173
0.8243 Intermediate Similarity NPC473267
0.8228 Intermediate Similarity NPC58631
0.8219 Intermediate Similarity NPC474962
0.8219 Intermediate Similarity NPC196197
0.8205 Intermediate Similarity NPC320144
0.8205 Intermediate Similarity NPC52951
0.8182 Intermediate Similarity NPC298168
0.8182 Intermediate Similarity NPC143133
0.8171 Intermediate Similarity NPC92139
0.8171 Intermediate Similarity NPC302111
0.8158 Intermediate Similarity NPC179858
0.8118 Intermediate Similarity NPC471901
0.8108 Intermediate Similarity NPC476731
0.8052 Intermediate Similarity NPC471046
0.8052 Intermediate Similarity NPC246445
0.8049 Intermediate Similarity NPC201655
0.8025 Intermediate Similarity NPC292458
0.8025 Intermediate Similarity NPC217559
0.8025 Intermediate Similarity NPC471037
0.8025 Intermediate Similarity NPC268578
0.8023 Intermediate Similarity NPC476189
0.8023 Intermediate Similarity NPC287118
0.8023 Intermediate Similarity NPC471902
0.8023 Intermediate Similarity NPC473690
0.8 Intermediate Similarity NPC156277
0.8 Intermediate Similarity NPC58057
0.8 Intermediate Similarity NPC472309
0.8 Intermediate Similarity NPC151018
0.8 Intermediate Similarity NPC478227
0.8 Intermediate Similarity NPC197701
0.8 Intermediate Similarity NPC320549
0.8 Intermediate Similarity NPC12933
0.7976 Intermediate Similarity NPC211162
0.7976 Intermediate Similarity NPC183374
0.7949 Intermediate Similarity NPC169389
0.7949 Intermediate Similarity NPC264602
0.7931 Intermediate Similarity NPC206878
0.7907 Intermediate Similarity NPC475416
0.7901 Intermediate Similarity NPC121121
0.7901 Intermediate Similarity NPC242771
0.7901 Intermediate Similarity NPC311642
0.7901 Intermediate Similarity NPC100366
0.7901 Intermediate Similarity NPC164289
0.7901 Intermediate Similarity NPC102156
0.7901 Intermediate Similarity NPC148740
0.7901 Intermediate Similarity NPC30583
0.7895 Intermediate Similarity NPC232112
0.7895 Intermediate Similarity NPC310766
0.7882 Intermediate Similarity NPC24705
0.7882 Intermediate Similarity NPC213832
0.7882 Intermediate Similarity NPC57954
0.7882 Intermediate Similarity NPC474570
0.7882 Intermediate Similarity NPC56962
0.7875 Intermediate Similarity NPC1882
0.7848 Intermediate Similarity NPC31031
0.7848 Intermediate Similarity NPC243594
0.7841 Intermediate Similarity NPC62407
0.7841 Intermediate Similarity NPC205173
0.7841 Intermediate Similarity NPC287354
0.7838 Intermediate Similarity NPC473225
0.7831 Intermediate Similarity NPC473350
0.7821 Intermediate Similarity NPC474020
0.7805 Intermediate Similarity NPC472744
0.7805 Intermediate Similarity NPC472847
0.7792 Intermediate Similarity NPC472854
0.7792 Intermediate Similarity NPC472944
0.7792 Intermediate Similarity NPC472945
0.7792 Intermediate Similarity NPC254340
0.7778 Intermediate Similarity NPC474870
0.7778 Intermediate Similarity NPC271572
0.7765 Intermediate Similarity NPC4309
0.7765 Intermediate Similarity NPC146937
0.7765 Intermediate Similarity NPC471900
0.7753 Intermediate Similarity NPC327788
0.7753 Intermediate Similarity NPC116683
0.775 Intermediate Similarity NPC472310
0.775 Intermediate Similarity NPC245029
0.775 Intermediate Similarity NPC31302
0.7746 Intermediate Similarity NPC306750
0.7738 Intermediate Similarity NPC83242
0.7738 Intermediate Similarity NPC80590
0.7738 Intermediate Similarity NPC103782
0.7738 Intermediate Similarity NPC472505
0.7738 Intermediate Similarity NPC114378
0.7733 Intermediate Similarity NPC295788
0.7733 Intermediate Similarity NPC321732
0.7733 Intermediate Similarity NPC178541
0.7733 Intermediate Similarity NPC327728
0.7733 Intermediate Similarity NPC131892
0.7733 Intermediate Similarity NPC6120
0.7733 Intermediate Similarity NPC324607
0.7733 Intermediate Similarity NPC213178
0.7722 Intermediate Similarity NPC171658
0.7722 Intermediate Similarity NPC68828
0.7722 Intermediate Similarity NPC66105
0.7722 Intermediate Similarity NPC212453
0.7711 Intermediate Similarity NPC219535
0.7711 Intermediate Similarity NPC50438
0.7711 Intermediate Similarity NPC237938
0.7711 Intermediate Similarity NPC477434
0.7711 Intermediate Similarity NPC473299
0.7703 Intermediate Similarity NPC41542
0.7692 Intermediate Similarity NPC132064
0.7692 Intermediate Similarity NPC273366
0.7692 Intermediate Similarity NPC125767
0.7692 Intermediate Similarity NPC97534
0.7692 Intermediate Similarity NPC27349
0.7692 Intermediate Similarity NPC21220
0.7692 Intermediate Similarity NPC24014
0.7692 Intermediate Similarity NPC195155
0.7692 Intermediate Similarity NPC174964
0.7674 Intermediate Similarity NPC61688
0.7674 Intermediate Similarity NPC200580
0.7674 Intermediate Similarity NPC116146
0.7674 Intermediate Similarity NPC24772
0.7667 Intermediate Similarity NPC253586
0.7662 Intermediate Similarity NPC244708
0.7662 Intermediate Similarity NPC475230
0.7662 Intermediate Similarity NPC474123
0.7662 Intermediate Similarity NPC248567
0.7662 Intermediate Similarity NPC161187
0.7662 Intermediate Similarity NPC330659
0.7662 Intermediate Similarity NPC474755
0.7662 Intermediate Similarity NPC279241
0.7654 Intermediate Similarity NPC477851
0.7647 Intermediate Similarity NPC33768
0.7647 Intermediate Similarity NPC264005
0.7647 Intermediate Similarity NPC96496
0.7647 Intermediate Similarity NPC269360
0.764 Intermediate Similarity NPC210214
0.7625 Intermediate Similarity NPC471045
0.7619 Intermediate Similarity NPC76333
0.76 Intermediate Similarity NPC31187
0.76 Intermediate Similarity NPC281203
0.76 Intermediate Similarity NPC100917
0.76 Intermediate Similarity NPC469724
0.76 Intermediate Similarity NPC470956
0.7595 Intermediate Similarity NPC475742
0.7595 Intermediate Similarity NPC472486
0.7595 Intermediate Similarity NPC5767
0.7595 Intermediate Similarity NPC472487
0.759 Intermediate Similarity NPC245866
0.7586 Intermediate Similarity NPC169933
0.7586 Intermediate Similarity NPC77756
0.7582 Intermediate Similarity NPC472028

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477934 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
0.8533 High Similarity NPD6117 Approved
0.8514 High Similarity NPD6113 Clinical (unspecified phase)
0.8493 Intermediate Similarity NPD6081 Approved
0.8421 Intermediate Similarity NPD6116 Phase 1
0.84 Intermediate Similarity NPD3702 Approved
0.8312 Intermediate Similarity NPD6118 Approved
0.8312 Intermediate Similarity NPD6697 Approved
0.8312 Intermediate Similarity NPD6114 Approved
0.8312 Intermediate Similarity NPD6115 Approved
0.831 Intermediate Similarity NPD4224 Phase 2
0.8243 Intermediate Similarity NPD5777 Approved
0.8108 Intermediate Similarity NPD4789 Approved
0.8 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD4244 Approved
0.7867 Intermediate Similarity NPD4245 Approved
0.7838 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7838 Intermediate Similarity NPD5360 Phase 3
0.7733 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD3698 Phase 2
0.7733 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD8035 Phase 2
0.75 Intermediate Similarity NPD8034 Phase 2
0.7412 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD4758 Discontinued
0.725 Intermediate Similarity NPD3703 Phase 2
0.7222 Intermediate Similarity NPD6399 Phase 3
0.7195 Intermediate Similarity NPD5364 Discontinued
0.7097 Intermediate Similarity NPD6083 Phase 2
0.7097 Intermediate Similarity NPD6084 Phase 2
0.7051 Intermediate Similarity NPD4267 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3671 Phase 1
0.6977 Remote Similarity NPD4788 Approved
0.6966 Remote Similarity NPD6672 Approved
0.6966 Remote Similarity NPD5737 Approved
0.6882 Remote Similarity NPD5695 Phase 3
0.6842 Remote Similarity NPD5696 Approved
0.6786 Remote Similarity NPD4238 Approved
0.6786 Remote Similarity NPD4802 Phase 2
0.6778 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6757 Remote Similarity NPD3198 Approved
0.6742 Remote Similarity NPD7146 Approved
0.6742 Remote Similarity NPD7521 Approved
0.6742 Remote Similarity NPD6409 Approved
0.6742 Remote Similarity NPD6684 Approved
0.6742 Remote Similarity NPD7334 Approved
0.6742 Remote Similarity NPD5330 Approved
0.6705 Remote Similarity NPD4786 Approved
0.66 Remote Similarity NPD6402 Approved
0.66 Remote Similarity NPD7128 Approved
0.66 Remote Similarity NPD6675 Approved
0.66 Remote Similarity NPD5739 Approved
0.6598 Remote Similarity NPD8418 Phase 2
0.6596 Remote Similarity NPD7748 Approved
0.6593 Remote Similarity NPD6903 Approved
0.6556 Remote Similarity NPD6098 Approved
0.6543 Remote Similarity NPD4787 Phase 1
0.6528 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6522 Remote Similarity NPD6904 Approved
0.6522 Remote Similarity NPD6673 Approved
0.6522 Remote Similarity NPD6080 Approved
0.6522 Remote Similarity NPD4753 Phase 2
0.65 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6495 Remote Similarity NPD7638 Approved
0.6477 Remote Similarity NPD3667 Approved
0.6471 Remote Similarity NPD6899 Approved
0.6471 Remote Similarity NPD6881 Approved
0.6471 Remote Similarity NPD7320 Approved
0.6437 Remote Similarity NPD6928 Phase 2
0.6429 Remote Similarity NPD7640 Approved
0.6429 Remote Similarity NPD7639 Approved
0.642 Remote Similarity NPD3725 Approved
0.642 Remote Similarity NPD3726 Approved
0.6408 Remote Similarity NPD6373 Approved
0.6408 Remote Similarity NPD6372 Approved
0.6395 Remote Similarity NPD3617 Approved
0.6392 Remote Similarity NPD7902 Approved
0.6383 Remote Similarity NPD7515 Phase 2
0.6383 Remote Similarity NPD7637 Suspended
0.6383 Remote Similarity NPD6411 Approved
0.6377 Remote Similarity NPD2266 Phase 2
0.6374 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6373 Remote Similarity NPD5697 Approved
0.6373 Remote Similarity NPD5701 Approved
0.6364 Remote Similarity NPD1700 Approved
0.6354 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6346 Remote Similarity NPD7290 Approved
0.6346 Remote Similarity NPD7102 Approved
0.6346 Remote Similarity NPD6883 Approved
0.6344 Remote Similarity NPD5328 Approved
0.6333 Remote Similarity NPD3666 Approved
0.6333 Remote Similarity NPD3133 Approved
0.6333 Remote Similarity NPD3665 Phase 1
0.6301 Remote Similarity NPD615 Clinical (unspecified phase)
0.63 Remote Similarity NPD7632 Discontinued
0.6296 Remote Similarity NPD6705 Phase 1
0.6296 Remote Similarity NPD7115 Discovery
0.6296 Remote Similarity NPD229 Approved
0.6292 Remote Similarity NPD4221 Approved
0.6292 Remote Similarity NPD4223 Phase 3
0.6292 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6649 Approved
0.6286 Remote Similarity NPD6847 Approved
0.6286 Remote Similarity NPD6617 Approved
0.6286 Remote Similarity NPD6650 Approved
0.6286 Remote Similarity NPD6869 Approved
0.6286 Remote Similarity NPD8130 Phase 1
0.6264 Remote Similarity NPD5329 Approved
0.625 Remote Similarity NPD6012 Approved
0.625 Remote Similarity NPD6014 Approved
0.625 Remote Similarity NPD6013 Approved
0.6237 Remote Similarity NPD5208 Approved
0.6237 Remote Similarity NPD4264 Clinical (unspecified phase)
0.6226 Remote Similarity NPD8297 Approved
0.6226 Remote Similarity NPD6882 Approved
0.6211 Remote Similarity NPD5281 Approved
0.6211 Remote Similarity NPD5693 Phase 1
0.6211 Remote Similarity NPD6050 Approved
0.6211 Remote Similarity NPD6079 Approved
0.6211 Remote Similarity NPD5284 Approved
0.6204 Remote Similarity NPD6940 Discontinued
0.6196 Remote Similarity NPD3618 Phase 1
0.6186 Remote Similarity NPD4629 Approved
0.6186 Remote Similarity NPD5210 Approved
0.618 Remote Similarity NPD4139 Approved
0.618 Remote Similarity NPD4692 Approved
0.617 Remote Similarity NPD5764 Clinical (unspecified phase)
0.617 Remote Similarity NPD7285 Clinical (unspecified phase)
0.617 Remote Similarity NPD6101 Approved
0.6168 Remote Similarity NPD8133 Approved
0.6154 Remote Similarity NPD3668 Phase 3
0.6154 Remote Similarity NPD6011 Approved
0.6154 Remote Similarity NPD4197 Approved
0.6154 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6132 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6117 Remote Similarity NPD6920 Discontinued
0.6111 Remote Similarity NPD9638 Phase 2
0.6105 Remote Similarity NPD5692 Phase 3
0.6087 Remote Similarity NPD634 Phase 3
0.6082 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6082 Remote Similarity NPD7900 Approved
0.6067 Remote Similarity NPD7525 Registered
0.6061 Remote Similarity NPD4755 Approved
0.6058 Remote Similarity NPD6412 Phase 2
0.6049 Remote Similarity NPD375 Phase 2
0.6047 Remote Similarity NPD2257 Approved
0.6042 Remote Similarity NPD5694 Approved
0.6027 Remote Similarity NPD3186 Phase 1
0.6023 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6022 Remote Similarity NPD4689 Approved
0.6022 Remote Similarity NPD4688 Approved
0.6022 Remote Similarity NPD4693 Phase 3
0.6022 Remote Similarity NPD5279 Phase 3
0.6022 Remote Similarity NPD4690 Approved
0.6022 Remote Similarity NPD4138 Approved
0.6022 Remote Similarity NPD5205 Approved
0.6 Remote Similarity NPD6051 Approved
0.6 Remote Similarity NPD7909 Approved
0.6 Remote Similarity NPD5369 Approved
0.5982 Remote Similarity NPD6319 Approved
0.5979 Remote Similarity NPD8171 Discontinued
0.5979 Remote Similarity NPD4202 Approved
0.596 Remote Similarity NPD5220 Clinical (unspecified phase)
0.596 Remote Similarity NPD5222 Approved
0.596 Remote Similarity NPD5221 Approved
0.596 Remote Similarity NPD4697 Phase 3
0.5941 Remote Similarity NPD5285 Approved
0.5941 Remote Similarity NPD5286 Approved
0.5941 Remote Similarity NPD4696 Approved
0.5941 Remote Similarity NPD4700 Approved
0.5938 Remote Similarity NPD5207 Approved
0.5934 Remote Similarity NPD6435 Approved
0.5926 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5918 Remote Similarity NPD6001 Approved
0.5913 Remote Similarity NPD7492 Approved
0.5909 Remote Similarity NPD6868 Approved
0.5909 Remote Similarity NPD6274 Approved
0.59 Remote Similarity NPD5173 Approved
0.5897 Remote Similarity NPD7736 Approved
0.5893 Remote Similarity NPD7101 Approved
0.5893 Remote Similarity NPD7100 Approved
0.5872 Remote Similarity NPD8298 Phase 2
0.587 Remote Similarity NPD3670 Clinical (unspecified phase)
0.587 Remote Similarity NPD3669 Approved
0.5867 Remote Similarity NPD3730 Approved
0.5867 Remote Similarity NPD3728 Approved
0.5862 Remote Similarity NPD6942 Approved
0.5862 Remote Similarity NPD7339 Approved
0.5862 Remote Similarity NPD6616 Approved
0.5859 Remote Similarity NPD5654 Approved
0.5856 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5851 Remote Similarity NPD4694 Approved
0.5851 Remote Similarity NPD5690 Phase 2
0.5851 Remote Similarity NPD5280 Approved
0.5849 Remote Similarity NPD6415 Discontinued
0.5849 Remote Similarity NPD6686 Approved
0.5847 Remote Similarity NPD7319 Approved
0.5842 Remote Similarity NPD4225 Approved
0.5841 Remote Similarity NPD6054 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3315243
ZINC  

Physicochemical Properties

Molecular Weight:  448.28
ALogP:  0.3124
MLogP:  3.66
XLogP:  6.468
# Rotatable Bonds:  13
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  32

Download Data

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