Natural Product: NPC475401

Natural Product ID:  NPC475401
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Ingol-7,8,12-Acetate,Ditiglate
Molecular Formula:   C32H44O9
Standard InCHIKey:  VUGGPQLUADHDCY-HXUVGCIHSA-N
Standard InCHI:  InChI=1S/C32H44O9/c1-11-15(3)28(36)39-24-19(7)27(35)32-14-18(6)26(34)31(32,41-32)13-17(5)23(38-20(8)33)25(22-21(24)30(22,9)10)40-29(37)16(4)12-2/h11-13,18-19,21-26,34H,14H2,1-10H3/b15-11+,16-12+,17-13+/t18-,19+,21-,22+,23+,24-,25-,26-,31-,32-/m0/s1
Canonical SMILES:  C/C=C(/C(=O)O[C@@H]1[C@H](OC(=O)C)/C(=C/[C@]23O[C@]3(C(=O)[C@@H]([C@@H]([C@@H]3[C@H]1C3(C)C)OC(=O)/C(=C/C)/C)C)C[C@@H]([C@@H]2O)C)/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
NPO32447 euphorbia ledienii Species Euphorbiaceae Eukaryota latices South African PMID[3236005]
NPO19062 Euphorbia coerulescens Species Euphorbiaceae Eukaryota latices South African PMID[3236005]
NPO25960 Euphorbia triangularis Species Euphorbiaceae Eukaryota latices South African PMID[3236005]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus Activity > 1000 ug DrugMatrix in vitro pharmacology data

  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 NPC475401 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
0.9908 High Similarity NPC477092
0.9907 High Similarity NPC475305
0.9537 High Similarity NPC477093
0.9537 High Similarity NPC475277
0.9537 High Similarity NPC473522
0.9444 High Similarity NPC475495
0.8611 High Similarity NPC471767
0.8611 High Similarity NPC477356
0.8559 High Similarity NPC470192
0.8532 High Similarity NPC78127
0.8532 High Similarity NPC471757
0.8532 High Similarity NPC49393
0.8532 High Similarity NPC105725
0.8532 High Similarity NPC250594
0.8532 High Similarity NPC118405
0.8496 Intermediate Similarity NPC50223
0.8496 Intermediate Similarity NPC477103
0.8462 Intermediate Similarity NPC475130
0.8462 Intermediate Similarity NPC474286
0.8455 Intermediate Similarity NPC472755
0.8426 Intermediate Similarity NPC477355
0.8421 Intermediate Similarity NPC287311
0.8407 Intermediate Similarity NPC139838
0.8407 Intermediate Similarity NPC59489
0.8407 Intermediate Similarity NPC477102
0.8393 Intermediate Similarity NPC477513
0.8364 Intermediate Similarity NPC472754
0.8333 Intermediate Similarity NPC87090
0.8333 Intermediate Similarity NPC41551
0.8333 Intermediate Similarity NPC257240
0.8319 Intermediate Similarity NPC117604
0.8304 Intermediate Similarity NPC54737
0.8293 Intermediate Similarity NPC236999
0.8276 Intermediate Similarity NPC101400
0.8276 Intermediate Similarity NPC101965
0.8273 Intermediate Similarity NPC472753
0.8257 Intermediate Similarity NPC470188
0.8246 Intermediate Similarity NPC77089
0.8241 Intermediate Similarity NPC477354
0.823 Intermediate Similarity NPC26617
0.8226 Intermediate Similarity NPC13071
0.8214 Intermediate Similarity NPC472756
0.8214 Intermediate Similarity NPC474741
0.8205 Intermediate Similarity NPC67290
0.8205 Intermediate Similarity NPC133677
0.8205 Intermediate Similarity NPC138303
0.819 Intermediate Similarity NPC98038
0.819 Intermediate Similarity NPC313921
0.819 Intermediate Similarity NPC471933
0.8175 Intermediate Similarity NPC58029
0.8158 Intermediate Similarity NPC169888
0.8158 Intermediate Similarity NPC55972
0.8158 Intermediate Similarity NPC308191
0.8158 Intermediate Similarity NPC327286
0.8142 Intermediate Similarity NPC44004
0.8125 Intermediate Similarity NPC475945
0.8125 Intermediate Similarity NPC475871
0.812 Intermediate Similarity NPC46269
0.812 Intermediate Similarity NPC106395
0.811 Intermediate Similarity NPC471234
0.8108 Intermediate Similarity NPC476270
0.8108 Intermediate Similarity NPC474339
0.8108 Intermediate Similarity NPC164598
0.8108 Intermediate Similarity NPC201718
0.8095 Intermediate Similarity NPC34963
0.8087 Intermediate Similarity NPC15218
0.808 Intermediate Similarity NPC35109
0.807 Intermediate Similarity NPC324327
0.807 Intermediate Similarity NPC194620
0.807 Intermediate Similarity NPC326994
0.807 Intermediate Similarity NPC72813
0.807 Intermediate Similarity NPC474421
0.8067 Intermediate Similarity NPC239273
0.8051 Intermediate Similarity NPC305044
0.8051 Intermediate Similarity NPC265290
0.8049 Intermediate Similarity NPC144625
0.8036 Intermediate Similarity NPC474747
0.8036 Intermediate Similarity NPC149371
0.8036 Intermediate Similarity NPC471148
0.8034 Intermediate Similarity NPC76550
0.8034 Intermediate Similarity NPC138757
0.8034 Intermediate Similarity NPC317687
0.8034 Intermediate Similarity NPC123855
0.8031 Intermediate Similarity NPC469673
0.8031 Intermediate Similarity NPC224623
0.8018 Intermediate Similarity NPC475949
0.8016 Intermediate Similarity NPC196921
0.8016 Intermediate Similarity NPC220757
0.8016 Intermediate Similarity NPC241935
0.8016 Intermediate Similarity NPC279478
0.8 Intermediate Similarity NPC14862
0.8 Intermediate Similarity NPC474664
0.8 Intermediate Similarity NPC233379
0.7982 Intermediate Similarity NPC16313
0.7982 Intermediate Similarity NPC243998
0.7982 Intermediate Similarity NPC223450
0.7982 Intermediate Similarity NPC474101
0.7982 Intermediate Similarity NPC9303
0.7982 Intermediate Similarity NPC314244
0.7982 Intermediate Similarity NPC179891
0.7969 Intermediate Similarity NPC476823
0.7967 Intermediate Similarity NPC473802
0.7967 Intermediate Similarity NPC472399
0.7965 Intermediate Similarity NPC123505
0.7963 Intermediate Similarity NPC477361
0.7963 Intermediate Similarity NPC202824
0.7951 Intermediate Similarity NPC472001
0.7951 Intermediate Similarity NPC472000
0.7951 Intermediate Similarity NPC471999
0.7949 Intermediate Similarity NPC317107
0.7946 Intermediate Similarity NPC47880
0.7946 Intermediate Similarity NPC477511
0.7946 Intermediate Similarity NPC171759
0.7946 Intermediate Similarity NPC474742
0.7946 Intermediate Similarity NPC477950
0.7946 Intermediate Similarity NPC264477
0.7937 Intermediate Similarity NPC470880
0.7931 Intermediate Similarity NPC471934
0.7931 Intermediate Similarity NPC475922
0.7928 Intermediate Similarity NPC109556
0.7928 Intermediate Similarity NPC161855
0.7928 Intermediate Similarity NPC471144
0.7917 Intermediate Similarity NPC471146
0.7913 Intermediate Similarity NPC473911
0.7909 Intermediate Similarity NPC476315
0.7903 Intermediate Similarity NPC473709
0.7903 Intermediate Similarity NPC473919
0.7895 Intermediate Similarity NPC169843
0.7895 Intermediate Similarity NPC100487
0.7895 Intermediate Similarity NPC472748
0.7895 Intermediate Similarity NPC203659
0.7891 Intermediate Similarity NPC469674
0.7886 Intermediate Similarity NPC162009
0.7886 Intermediate Similarity NPC19464
0.7886 Intermediate Similarity NPC107493
0.7886 Intermediate Similarity NPC257017
0.7881 Intermediate Similarity NPC170487
0.7879 Intermediate Similarity NPC25887
0.7876 Intermediate Similarity NPC320019
0.7876 Intermediate Similarity NPC324017
0.7874 Intermediate Similarity NPC213634
0.7874 Intermediate Similarity NPC469351
0.787 Intermediate Similarity NPC221282
0.7869 Intermediate Similarity NPC79579
0.7863 Intermediate Similarity NPC115257
0.7863 Intermediate Similarity NPC161816
0.7857 Intermediate Similarity NPC471381
0.7857 Intermediate Similarity NPC280963
0.7857 Intermediate Similarity NPC172823
0.7857 Intermediate Similarity NPC288876
0.7857 Intermediate Similarity NPC186861
0.7851 Intermediate Similarity NPC118638
0.784 Intermediate Similarity NPC473635
0.784 Intermediate Similarity NPC15095
0.784 Intermediate Similarity NPC471939
0.7833 Intermediate Similarity NPC148458
0.7833 Intermediate Similarity NPC170692
0.7833 Intermediate Similarity NPC255450
0.7826 Intermediate Similarity NPC475802
0.7826 Intermediate Similarity NPC472751
0.7826 Intermediate Similarity NPC291643
0.7826 Intermediate Similarity NPC472749
0.7823 Intermediate Similarity NPC42747
0.7823 Intermediate Similarity NPC469789
0.7823 Intermediate Similarity NPC1538
0.7818 Intermediate Similarity NPC36954
0.7818 Intermediate Similarity NPC14961
0.7818 Intermediate Similarity NPC270013
0.7807 Intermediate Similarity NPC232515
0.7807 Intermediate Similarity NPC474783
0.7807 Intermediate Similarity NPC4620
0.7807 Intermediate Similarity NPC472747
0.7807 Intermediate Similarity NPC472750
0.7807 Intermediate Similarity NPC110989
0.7807 Intermediate Similarity NPC260809
0.7805 Intermediate Similarity NPC470829
0.7805 Intermediate Similarity NPC472401
0.7805 Intermediate Similarity NPC46570
0.7805 Intermediate Similarity NPC473228
0.7805 Intermediate Similarity NPC52839
0.7798 Intermediate Similarity NPC212486
0.7798 Intermediate Similarity NPC476300
0.7798 Intermediate Similarity NPC125180
0.7797 Intermediate Similarity NPC118860
0.7797 Intermediate Similarity NPC231589
0.7797 Intermediate Similarity NPC214797
0.7797 Intermediate Similarity NPC474750
0.7788 Intermediate Similarity NPC46998
0.7788 Intermediate Similarity NPC150923
0.7788 Intermediate Similarity NPC185141
0.7788 Intermediate Similarity NPC110443
0.7788 Intermediate Similarity NPC128733
0.7788 Intermediate Similarity NPC15993
0.7788 Intermediate Similarity NPC133907
0.7787 Intermediate Similarity NPC472667
0.7787 Intermediate Similarity NPC5292
0.7778 Intermediate Similarity NPC47951
0.7778 Intermediate Similarity NPC38154
0.7778 Intermediate Similarity NPC473265
0.7778 Intermediate Similarity NPC471940

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475401 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
0.8333 Intermediate Similarity NPD6371 Approved
0.823 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7724 Intermediate Similarity NPD6319 Approved
0.7455 Intermediate Similarity NPD6698 Approved
0.7455 Intermediate Similarity NPD46 Approved
0.7455 Intermediate Similarity NPD5785 Approved
0.7438 Intermediate Similarity NPD8297 Approved
0.7344 Intermediate Similarity NPD7492 Approved
0.7339 Intermediate Similarity NPD7115 Discovery
0.7308 Intermediate Similarity NPD7736 Approved
0.7302 Intermediate Similarity NPD6054 Approved
0.7297 Intermediate Similarity NPD7838 Discovery
0.7287 Intermediate Similarity NPD6616 Approved
0.7232 Intermediate Similarity NPD7983 Approved
0.7231 Intermediate Similarity NPD7078 Approved
0.7231 Intermediate Similarity NPD8293 Discontinued
0.7213 Intermediate Similarity NPD6649 Approved
0.7213 Intermediate Similarity NPD6650 Approved
0.7193 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6372 Approved
0.719 Intermediate Similarity NPD6373 Approved
0.7188 Intermediate Similarity NPD6370 Approved
0.7165 Intermediate Similarity NPD6059 Approved
0.7154 Intermediate Similarity NPD6053 Discontinued
0.7132 Intermediate Similarity NPD7604 Phase 2
0.7121 Intermediate Similarity NPD7319 Approved
0.7109 Intermediate Similarity NPD6016 Approved
0.7109 Intermediate Similarity NPD6015 Approved
0.7107 Intermediate Similarity NPD6881 Approved
0.7107 Intermediate Similarity NPD6899 Approved
0.7097 Intermediate Similarity NPD4632 Approved
0.7083 Intermediate Similarity NPD5739 Approved
0.7083 Intermediate Similarity NPD6675 Approved
0.7083 Intermediate Similarity NPD6402 Approved
0.7083 Intermediate Similarity NPD7128 Approved
0.7073 Intermediate Similarity NPD8130 Phase 1
0.7054 Intermediate Similarity NPD5988 Approved
0.7025 Intermediate Similarity NPD5697 Approved
0.7023 Intermediate Similarity NPD7507 Approved
0.7016 Intermediate Similarity NPD6882 Approved
0.7 Intermediate Similarity NPD5363 Approved
0.6992 Remote Similarity NPD6883 Approved
0.6992 Remote Similarity NPD7102 Approved
0.6992 Remote Similarity NPD7290 Approved
0.6992 Remote Similarity NPD4634 Approved
0.6967 Remote Similarity NPD7320 Approved
0.6967 Remote Similarity NPD6686 Approved
0.6937 Remote Similarity NPD5786 Approved
0.6935 Remote Similarity NPD6847 Approved
0.6935 Remote Similarity NPD6869 Approved
0.6935 Remote Similarity NPD6617 Approved
0.6929 Remote Similarity NPD6009 Approved
0.6923 Remote Similarity NPD6083 Phase 2
0.6923 Remote Similarity NPD6084 Phase 2
0.6911 Remote Similarity NPD6014 Approved
0.6911 Remote Similarity NPD6013 Approved
0.6911 Remote Similarity NPD6012 Approved
0.6903 Remote Similarity NPD1695 Approved
0.6885 Remote Similarity NPD5701 Approved
0.6881 Remote Similarity NPD6435 Approved
0.6847 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5983 Phase 2
0.6829 Remote Similarity NPD6011 Approved
0.681 Remote Similarity NPD5282 Discontinued
0.6803 Remote Similarity NPD6008 Approved
0.68 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6789 Remote Similarity NPD5369 Approved
0.6767 Remote Similarity NPD6336 Discontinued
0.6752 Remote Similarity NPD5695 Phase 3
0.675 Remote Similarity NPD5344 Discontinued
0.6742 Remote Similarity NPD8328 Phase 3
0.6727 Remote Similarity NPD4269 Approved
0.6727 Remote Similarity NPD4270 Approved
0.6723 Remote Similarity NPD5696 Approved
0.6723 Remote Similarity NPD4225 Approved
0.6718 Remote Similarity NPD8033 Approved
0.6697 Remote Similarity NPD5368 Approved
0.6694 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6033 Approved
0.6643 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6642 Remote Similarity NPD7260 Phase 2
0.664 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6617 Remote Similarity NPD7642 Approved
0.6613 Remote Similarity NPD6412 Phase 2
0.6591 Remote Similarity NPD8513 Phase 3
0.6591 Remote Similarity NPD8515 Approved
0.6591 Remote Similarity NPD8516 Approved
0.6591 Remote Similarity NPD8517 Approved
0.6589 Remote Similarity NPD6274 Approved
0.6587 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6585 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6585 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6583 Remote Similarity NPD7638 Approved
0.6583 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4250 Approved
0.6579 Remote Similarity NPD4251 Approved
0.6565 Remote Similarity NPD7101 Approved
0.6565 Remote Similarity NPD7100 Approved
0.6557 Remote Similarity NPD5211 Phase 2
0.6549 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6545 Remote Similarity NPD4252 Approved
0.6545 Remote Similarity NPD4820 Approved
0.6545 Remote Similarity NPD4822 Approved
0.6545 Remote Similarity NPD4819 Approved
0.6545 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6545 Remote Similarity NPD4821 Approved
0.6529 Remote Similarity NPD7640 Approved
0.6529 Remote Similarity NPD4696 Approved
0.6529 Remote Similarity NPD5286 Approved
0.6529 Remote Similarity NPD5285 Approved
0.6529 Remote Similarity NPD7639 Approved
0.6518 Remote Similarity NPD5362 Discontinued
0.6515 Remote Similarity NPD8294 Approved
0.6515 Remote Similarity NPD8377 Approved
0.65 Remote Similarity NPD4755 Approved
0.6496 Remote Similarity NPD5693 Phase 1
0.6493 Remote Similarity NPD7830 Approved
0.6493 Remote Similarity NPD7829 Approved
0.6491 Remote Similarity NPD4249 Approved
0.6489 Remote Similarity NPD7327 Approved
0.6489 Remote Similarity NPD6335 Approved
0.6489 Remote Similarity NPD7328 Approved
0.6466 Remote Similarity NPD7503 Approved
0.6466 Remote Similarity NPD8379 Approved
0.6466 Remote Similarity NPD8380 Approved
0.6466 Remote Similarity NPD8296 Approved
0.6466 Remote Similarity NPD8335 Approved
0.6466 Remote Similarity NPD8378 Approved
0.6452 Remote Similarity NPD5141 Approved
0.6449 Remote Similarity NPD5956 Approved
0.6441 Remote Similarity NPD5778 Approved
0.6441 Remote Similarity NPD5779 Approved
0.6439 Remote Similarity NPD7516 Approved
0.6429 Remote Similarity NPD5209 Approved
0.6429 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6423 Remote Similarity NPD5224 Approved
0.6423 Remote Similarity NPD5226 Approved
0.6423 Remote Similarity NPD4633 Approved
0.6423 Remote Similarity NPD5225 Approved
0.6412 Remote Similarity NPD6317 Approved
0.6412 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6393 Remote Similarity NPD4700 Approved
0.6393 Remote Similarity NPD6648 Approved
0.6372 Remote Similarity NPD7154 Phase 3
0.6371 Remote Similarity NPD5175 Approved
0.6371 Remote Similarity NPD5174 Approved
0.6364 Remote Similarity NPD4268 Approved
0.6364 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4271 Approved
0.6364 Remote Similarity NPD6313 Approved
0.6364 Remote Similarity NPD6314 Approved
0.6357 Remote Similarity NPD6845 Suspended
0.6356 Remote Similarity NPD7637 Suspended
0.635 Remote Similarity NPD8074 Phase 3
0.6349 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6343 Remote Similarity NPD6909 Approved
0.6343 Remote Similarity NPD6908 Approved
0.6341 Remote Similarity NPD5223 Approved
0.6341 Remote Similarity NPD1700 Approved
0.6333 Remote Similarity NPD4629 Approved
0.6333 Remote Similarity NPD5210 Approved
0.6325 Remote Similarity NPD6673 Approved
0.6325 Remote Similarity NPD6904 Approved
0.6325 Remote Similarity NPD4753 Phase 2
0.6325 Remote Similarity NPD6080 Approved
0.6316 Remote Similarity NPD4522 Approved
0.6308 Remote Similarity NPD8133 Approved
0.6303 Remote Similarity NPD6399 Phase 3
0.6299 Remote Similarity NPD4730 Approved
0.6299 Remote Similarity NPD4729 Approved
0.6296 Remote Similarity NPD8080 Discontinued
0.6281 Remote Similarity NPD7839 Suspended
0.627 Remote Similarity NPD4767 Approved
0.627 Remote Similarity NPD4768 Approved
0.6239 Remote Similarity NPD5737 Approved
0.6239 Remote Similarity NPD6672 Approved
0.6228 Remote Similarity NPD6110 Phase 1
0.6222 Remote Similarity NPD6921 Approved
0.6222 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6218 Remote Similarity NPD6411 Approved
0.6218 Remote Similarity NPD6050 Approved
0.6202 Remote Similarity NPD5251 Approved
0.6202 Remote Similarity NPD5250 Approved
0.6202 Remote Similarity NPD5247 Approved
0.6202 Remote Similarity NPD5248 Approved
0.6202 Remote Similarity NPD5249 Phase 3
0.6198 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6172 Remote Similarity NPD5128 Approved
0.6159 Remote Similarity NPD7799 Discontinued
0.6159 Remote Similarity NPD8451 Approved
0.6159 Remote Similarity NPD8273 Phase 1
0.6134 Remote Similarity NPD5692 Phase 3
0.6115 Remote Similarity NPD8448 Approved
0.6111 Remote Similarity NPD4754 Approved
0.6103 Remote Similarity NPD8444 Approved
0.6103 Remote Similarity NPD8274 Clinical (unspecified phase)
0.609 Remote Similarity NPD6868 Approved
0.6087 Remote Similarity NPD5332 Approved
0.6087 Remote Similarity NPD5331 Approved

Structure

External Identifiers

PubChem CID   44559778
ChEMBL   CHEMBL504921
ZINC  

Physicochemical Properties

Molecular Weight:  572.30
ALogP:  3.0448
MLogP:  3.99
XLogP:  3.522
# Rotatable Bonds:  19
Polar Surface Area:  128.73
# H-Bond Aceptor:  9
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  41

Download Data

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