Natural Product: NPC179891

Natural Product ID:  NPC179891
Common Name:   n.a.
IUPAC Name:  
Synonyms:   20-O-(Decanoyl)Ingenol
Molecular Formula:   C30H46O6
Standard InCHIKey:  ZNSZMBGAKDLHFK-AWOIRFTESA-N
Standard InCHI:  InChI=1S/C30H46O6/c1-6-7-8-9-10-11-12-13-23(31)36-17-20-15-21-24-22(28(24,4)5)14-19(3)29(27(21)34)16-18(2)25(32)30(29,35)26(20)33/h15-16,19,21-22,24-26,32-33,35H,6-14,17H2,1-5H3/t19-,21+,22-,24+,25+,26-,29+,30-/m1/s1
Canonical SMILES:  CCCCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@H](C3(C)C)C[C@H]([C@]3([C@@]([C@@H]1O)(O)[C@@H](O)C(=C3)C)C2=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
NPO14260 Euphorbia kansui Species Euphorbiaceae Eukaryota TCM_Taiwan*
NPO14260 Euphorbia kansui Species Euphorbiaceae Eukaryota roots PMID[12350140]
NPO14260 Euphorbia kansui Species Euphorbiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity > 75 % 12350140

  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 NPC179891 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
0.9798 High Similarity NPC308191
0.9604 High Similarity NPC257240
0.951 High Similarity NPC287311
0.9417 High Similarity NPC76550
0.9417 High Similarity NPC123855
0.9327 High Similarity NPC46269
0.9327 High Similarity NPC106395
0.9314 High Similarity NPC477102
0.9238 High Similarity NPC133677
0.9238 High Similarity NPC67290
0.9238 High Similarity NPC138303
0.9231 High Similarity NPC138757
0.9223 High Similarity NPC477103
0.9072 High Similarity NPC261341
0.902 High Similarity NPC473488
0.902 High Similarity NPC475661
0.8942 High Similarity NPC47951
0.8932 High Similarity NPC473911
0.8208 Intermediate Similarity NPC203659
0.8208 Intermediate Similarity NPC100487
0.8155 Intermediate Similarity NPC477949
0.8131 Intermediate Similarity NPC243998
0.8113 Intermediate Similarity NPC110989
0.8095 Intermediate Similarity NPC150923
0.807 Intermediate Similarity NPC477092
0.8056 Intermediate Similarity NPC26617
0.8039 Intermediate Similarity NPC198853
0.8039 Intermediate Similarity NPC262133
0.8039 Intermediate Similarity NPC470013
0.8039 Intermediate Similarity NPC470010
0.8039 Intermediate Similarity NPC323008
0.8037 Intermediate Similarity NPC220964
0.8037 Intermediate Similarity NPC475676
0.8019 Intermediate Similarity NPC474709
0.8019 Intermediate Similarity NPC86077
0.8019 Intermediate Similarity NPC225353
0.8 Intermediate Similarity NPC474718
0.7982 Intermediate Similarity NPC475401
0.7982 Intermediate Similarity NPC233379
0.7982 Intermediate Similarity NPC14862
0.7982 Intermediate Similarity NPC474664
0.7981 Intermediate Similarity NPC161493
0.7981 Intermediate Similarity NPC311904
0.7965 Intermediate Similarity NPC234858
0.7965 Intermediate Similarity NPC471127
0.7965 Intermediate Similarity NPC154363
0.7963 Intermediate Similarity NPC223450
0.7961 Intermediate Similarity NPC67584
0.7961 Intermediate Similarity NPC52044
0.7961 Intermediate Similarity NPC304886
0.7961 Intermediate Similarity NPC469873
0.7949 Intermediate Similarity NPC472399
0.7946 Intermediate Similarity NPC71889
0.7944 Intermediate Similarity NPC4620
0.7944 Intermediate Similarity NPC474165
0.7944 Intermediate Similarity NPC475945
0.7944 Intermediate Similarity NPC69171
0.7944 Intermediate Similarity NPC475871
0.7925 Intermediate Similarity NPC171759
0.7925 Intermediate Similarity NPC477950
0.7909 Intermediate Similarity NPC15218
0.7905 Intermediate Similarity NPC141191
0.7905 Intermediate Similarity NPC221615
0.7895 Intermediate Similarity NPC10721
0.7895 Intermediate Similarity NPC475305
0.789 Intermediate Similarity NPC474421
0.789 Intermediate Similarity NPC72813
0.789 Intermediate Similarity NPC326994
0.789 Intermediate Similarity NPC194620
0.789 Intermediate Similarity NPC324327
0.7885 Intermediate Similarity NPC213078
0.7876 Intermediate Similarity NPC474872
0.7876 Intermediate Similarity NPC472400
0.787 Intermediate Similarity NPC474741
0.7864 Intermediate Similarity NPC477131
0.7864 Intermediate Similarity NPC167219
0.785 Intermediate Similarity NPC183571
0.785 Intermediate Similarity NPC474747
0.7845 Intermediate Similarity NPC475885
0.7845 Intermediate Similarity NPC157252
0.7845 Intermediate Similarity NPC471128
0.7845 Intermediate Similarity NPC145182
0.7845 Intermediate Similarity NPC471126
0.7843 Intermediate Similarity NPC131209
0.7843 Intermediate Similarity NPC475972
0.7843 Intermediate Similarity NPC133698
0.7838 Intermediate Similarity NPC115257
0.7838 Intermediate Similarity NPC161816
0.7826 Intermediate Similarity NPC288679
0.7826 Intermediate Similarity NPC146280
0.7826 Intermediate Similarity NPC124676
0.7818 Intermediate Similarity NPC169888
0.7818 Intermediate Similarity NPC117604
0.7818 Intermediate Similarity NPC327286
0.7818 Intermediate Similarity NPC55972
0.781 Intermediate Similarity NPC213947
0.781 Intermediate Similarity NPC169205
0.781 Intermediate Similarity NPC108475
0.781 Intermediate Similarity NPC170143
0.7798 Intermediate Similarity NPC16313
0.7798 Intermediate Similarity NPC9303
0.7798 Intermediate Similarity NPC475802
0.7788 Intermediate Similarity NPC472757
0.7788 Intermediate Similarity NPC270013
0.7788 Intermediate Similarity NPC14961
0.7788 Intermediate Similarity NPC170120
0.7788 Intermediate Similarity NPC220221
0.7788 Intermediate Similarity NPC36954
0.7788 Intermediate Similarity NPC213698
0.7778 Intermediate Similarity NPC472401
0.7778 Intermediate Similarity NPC124881
0.7778 Intermediate Similarity NPC474775
0.7778 Intermediate Similarity NPC472755
0.7778 Intermediate Similarity NPC52839
0.7768 Intermediate Similarity NPC96739
0.7768 Intermediate Similarity NPC174471
0.7768 Intermediate Similarity NPC474871
0.7768 Intermediate Similarity NPC317107
0.7768 Intermediate Similarity NPC260786
0.7768 Intermediate Similarity NPC158523
0.7768 Intermediate Similarity NPC475937
0.7767 Intermediate Similarity NPC475912
0.7759 Intermediate Similarity NPC236918
0.7759 Intermediate Similarity NPC156745
0.7757 Intermediate Similarity NPC472753
0.7757 Intermediate Similarity NPC474742
0.7748 Intermediate Similarity NPC273433
0.7748 Intermediate Similarity NPC475922
0.7745 Intermediate Similarity NPC469368
0.7745 Intermediate Similarity NPC473448
0.7739 Intermediate Similarity NPC156252
0.7739 Intermediate Similarity NPC475323
0.7714 Intermediate Similarity NPC476315
0.7714 Intermediate Similarity NPC18019
0.7714 Intermediate Similarity NPC230800
0.7714 Intermediate Similarity NPC185553
0.7714 Intermediate Similarity NPC24956
0.7714 Intermediate Similarity NPC91771
0.7714 Intermediate Similarity NPC142529
0.7712 Intermediate Similarity NPC19464
0.7712 Intermediate Similarity NPC162009
0.7712 Intermediate Similarity NPC257017
0.7706 Intermediate Similarity NPC309190
0.7706 Intermediate Similarity NPC472756
0.7699 Intermediate Similarity NPC151216
0.7699 Intermediate Similarity NPC170212
0.7699 Intermediate Similarity NPC317687
0.7699 Intermediate Similarity NPC89227
0.7699 Intermediate Similarity NPC215643
0.7699 Intermediate Similarity NPC101825
0.7699 Intermediate Similarity NPC475391
0.7699 Intermediate Similarity NPC23967
0.7699 Intermediate Similarity NPC265499
0.7699 Intermediate Similarity NPC17138
0.7699 Intermediate Similarity NPC221511
0.7692 Intermediate Similarity NPC472759
0.7692 Intermediate Similarity NPC65829
0.7692 Intermediate Similarity NPC329080
0.7692 Intermediate Similarity NPC19336
0.7692 Intermediate Similarity NPC474035
0.7692 Intermediate Similarity NPC81386
0.7692 Intermediate Similarity NPC53685
0.7692 Intermediate Similarity NPC185876
0.7692 Intermediate Similarity NPC127019
0.7686 Intermediate Similarity NPC236999
0.7685 Intermediate Similarity NPC118405
0.7685 Intermediate Similarity NPC105725
0.7685 Intermediate Similarity NPC478156
0.7685 Intermediate Similarity NPC472754
0.7679 Intermediate Similarity NPC153036
0.7672 Intermediate Similarity NPC472758
0.7672 Intermediate Similarity NPC161060
0.7672 Intermediate Similarity NPC171905
0.7672 Intermediate Similarity NPC471125
0.7672 Intermediate Similarity NPC472397
0.7672 Intermediate Similarity NPC472760
0.767 Intermediate Similarity NPC476705
0.767 Intermediate Similarity NPC475925
0.767 Intermediate Similarity NPC184463
0.767 Intermediate Similarity NPC184063
0.767 Intermediate Similarity NPC30515
0.7664 Intermediate Similarity NPC70865
0.7664 Intermediate Similarity NPC288876
0.7664 Intermediate Similarity NPC280963
0.7658 Intermediate Similarity NPC322903
0.7658 Intermediate Similarity NPC94377
0.7653 Intermediate Similarity NPC89555
0.7642 Intermediate Similarity NPC474313
0.7636 Intermediate Similarity NPC475217
0.7636 Intermediate Similarity NPC54737
0.7632 Intermediate Similarity NPC209058
0.7632 Intermediate Similarity NPC474937
0.7627 Intermediate Similarity NPC473228
0.7627 Intermediate Similarity NPC470829
0.7624 Intermediate Similarity NPC474765
0.7619 Intermediate Similarity NPC472873
0.7619 Intermediate Similarity NPC90121
0.7619 Intermediate Similarity NPC193645
0.7619 Intermediate Similarity NPC275960
0.7619 Intermediate Similarity NPC475900

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC179891 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
0.9604 High Similarity NPD6371 Approved
0.8056 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7573 Intermediate Similarity NPD5785 Approved
0.7476 Intermediate Similarity NPD1695 Approved
0.7404 Intermediate Similarity NPD6698 Approved
0.7404 Intermediate Similarity NPD46 Approved
0.7333 Intermediate Similarity NPD7983 Approved
0.73 Intermediate Similarity NPD4270 Approved
0.73 Intermediate Similarity NPD4269 Approved
0.7228 Intermediate Similarity NPD5362 Discontinued
0.72 Intermediate Similarity NPD5369 Approved
0.7184 Intermediate Similarity NPD5786 Approved
0.7143 Intermediate Similarity NPD7115 Discovery
0.71 Intermediate Similarity NPD4252 Approved
0.7087 Intermediate Similarity NPD5363 Approved
0.7059 Intermediate Similarity NPD7154 Phase 3
0.7037 Intermediate Similarity NPD5282 Discontinued
0.6952 Remote Similarity NPD4250 Approved
0.6952 Remote Similarity NPD4251 Approved
0.6949 Remote Similarity NPD6053 Discontinued
0.6944 Remote Similarity NPD5779 Approved
0.6944 Remote Similarity NPD5778 Approved
0.6937 Remote Similarity NPD4225 Approved
0.6931 Remote Similarity NPD4822 Approved
0.6931 Remote Similarity NPD4821 Approved
0.6931 Remote Similarity NPD4820 Approved
0.6931 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6931 Remote Similarity NPD4819 Approved
0.6923 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6916 Remote Similarity NPD7838 Discovery
0.69 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6686 Approved
0.6864 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4249 Approved
0.6852 Remote Similarity NPD7637 Suspended
0.6796 Remote Similarity NPD5209 Approved
0.6796 Remote Similarity NPD6435 Approved
0.6733 Remote Similarity NPD4268 Approved
0.6733 Remote Similarity NPD4271 Approved
0.6726 Remote Similarity NPD7639 Approved
0.6726 Remote Similarity NPD7640 Approved
0.6667 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD5344 Discontinued
0.664 Remote Similarity NPD8517 Approved
0.664 Remote Similarity NPD8513 Phase 3
0.664 Remote Similarity NPD8516 Approved
0.664 Remote Similarity NPD8515 Approved
0.6637 Remote Similarity NPD7638 Approved
0.6636 Remote Similarity NPD6399 Phase 3
0.661 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6604 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6602 Remote Similarity NPD5368 Approved
0.6571 Remote Similarity NPD5331 Approved
0.6571 Remote Similarity NPD5332 Approved
0.6562 Remote Similarity NPD8273 Phase 1
0.6562 Remote Similarity NPD7507 Approved
0.656 Remote Similarity NPD6319 Approved
0.6555 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6549 Remote Similarity NPD6083 Phase 2
0.6549 Remote Similarity NPD6084 Phase 2
0.6545 Remote Similarity NPD6411 Approved
0.6538 Remote Similarity NPD4790 Discontinued
0.6525 Remote Similarity NPD6412 Phase 2
0.6491 Remote Similarity NPD8029 Clinical (unspecified phase)
0.646 Remote Similarity NPD7839 Suspended
0.6441 Remote Similarity NPD6675 Approved
0.6441 Remote Similarity NPD6008 Approved
0.6441 Remote Similarity NPD7128 Approved
0.6441 Remote Similarity NPD6402 Approved
0.6441 Remote Similarity NPD5739 Approved
0.6417 Remote Similarity NPD6373 Approved
0.6417 Remote Similarity NPD6372 Approved
0.6385 Remote Similarity NPD8074 Phase 3
0.6372 Remote Similarity NPD5695 Phase 3
0.6364 Remote Similarity NPD5370 Suspended
0.6364 Remote Similarity NPD6101 Approved
0.6364 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6357 Remote Similarity NPD7492 Approved
0.6355 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6348 Remote Similarity NPD5696 Approved
0.6341 Remote Similarity NPD4632 Approved
0.6341 Remote Similarity NPD8133 Approved
0.6333 Remote Similarity NPD6899 Approved
0.6333 Remote Similarity NPD6881 Approved
0.6333 Remote Similarity NPD7320 Approved
0.633 Remote Similarity NPD7524 Approved
0.6311 Remote Similarity NPD6649 Approved
0.6311 Remote Similarity NPD6650 Approved
0.6308 Remote Similarity NPD6616 Approved
0.6299 Remote Similarity NPD6054 Approved
0.6299 Remote Similarity NPD6059 Approved
0.6293 Remote Similarity NPD6648 Approved
0.6279 Remote Similarity NPD7604 Phase 2
0.627 Remote Similarity NPD7328 Approved
0.627 Remote Similarity NPD7327 Approved
0.6262 Remote Similarity NPD6695 Phase 3
0.626 Remote Similarity NPD7078 Approved
0.626 Remote Similarity NPD8297 Approved
0.626 Remote Similarity NPD8293 Discontinued
0.625 Remote Similarity NPD8033 Approved
0.625 Remote Similarity NPD4810 Clinical (unspecified phase)
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD5701 Approved
0.623 Remote Similarity NPD7102 Approved
0.623 Remote Similarity NPD7290 Approved
0.623 Remote Similarity NPD4634 Approved
0.623 Remote Similarity NPD6883 Approved
0.6228 Remote Similarity NPD6356 Clinical (unspecified phase)
0.622 Remote Similarity NPD7516 Approved
0.6212 Remote Similarity NPD7736 Approved
0.6202 Remote Similarity NPD6370 Approved
0.6186 Remote Similarity NPD7632 Discontinued
0.6179 Remote Similarity NPD6869 Approved
0.6179 Remote Similarity NPD6847 Approved
0.6179 Remote Similarity NPD6617 Approved
0.6179 Remote Similarity NPD8130 Phase 1
0.6172 Remote Similarity NPD8294 Approved
0.6172 Remote Similarity NPD8377 Approved
0.6168 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6168 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7642 Approved
0.6148 Remote Similarity NPD6012 Approved
0.6148 Remote Similarity NPD6014 Approved
0.6148 Remote Similarity NPD6013 Approved
0.6147 Remote Similarity NPD1694 Approved
0.6129 Remote Similarity NPD6882 Approved
0.6124 Remote Similarity NPD8378 Approved
0.6124 Remote Similarity NPD7503 Approved
0.6124 Remote Similarity NPD8379 Approved
0.6124 Remote Similarity NPD8296 Approved
0.6124 Remote Similarity NPD6016 Approved
0.6124 Remote Similarity NPD8380 Approved
0.6124 Remote Similarity NPD6015 Approved
0.6124 Remote Similarity NPD8335 Approved
0.6116 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6106 Remote Similarity NPD5281 Approved
0.6106 Remote Similarity NPD5284 Approved
0.6106 Remote Similarity NPD5693 Phase 1
0.6091 Remote Similarity NPD7521 Approved
0.6091 Remote Similarity NPD7334 Approved
0.6091 Remote Similarity NPD6409 Approved
0.6091 Remote Similarity NPD5330 Approved
0.6091 Remote Similarity NPD6684 Approved
0.6091 Remote Similarity NPD7146 Approved
0.6077 Remote Similarity NPD5988 Approved
0.6071 Remote Similarity NPD4753 Phase 2
0.6071 Remote Similarity NPD6051 Approved
0.6066 Remote Similarity NPD6011 Approved
0.6063 Remote Similarity NPD6009 Approved
0.6061 Remote Similarity NPD8451 Approved
0.6055 Remote Similarity NPD4786 Approved
0.6055 Remote Similarity NPD6400 Clinical (unspecified phase)
0.605 Remote Similarity NPD5211 Phase 2
0.6048 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6036 Remote Similarity NPD7750 Discontinued
0.6031 Remote Similarity NPD8328 Phase 3
0.6016 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6015 Remote Similarity NPD8448 Approved
0.6 Remote Similarity NPD6921 Approved
0.6 Remote Similarity NPD8444 Approved
0.6 Remote Similarity NPD5983 Phase 2
0.5985 Remote Similarity NPD8341 Approved
0.5985 Remote Similarity NPD8340 Approved
0.5985 Remote Similarity NPD8299 Approved
0.5985 Remote Similarity NPD8342 Approved
0.5983 Remote Similarity NPD4755 Approved
0.5983 Remote Similarity NPD7902 Approved
0.5982 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5982 Remote Similarity NPD6903 Approved
0.5981 Remote Similarity NPD6930 Phase 2
0.5981 Remote Similarity NPD7332 Phase 2
0.5981 Remote Similarity NPD6931 Approved
0.5968 Remote Similarity NPD6421 Discontinued
0.5963 Remote Similarity NPD6110 Phase 1
0.5962 Remote Similarity NPD8039 Approved
0.595 Remote Similarity NPD5141 Approved
0.5948 Remote Similarity NPD4629 Approved
0.5948 Remote Similarity NPD5210 Approved
0.5946 Remote Similarity NPD6098 Approved
0.594 Remote Similarity NPD6336 Discontinued
0.5938 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6080 Approved
0.5929 Remote Similarity NPD6904 Approved
0.5929 Remote Similarity NPD6673 Approved
0.5926 Remote Similarity NPD6902 Approved
0.5913 Remote Similarity NPD4202 Approved
0.5909 Remote Similarity NPD7829 Approved
0.5909 Remote Similarity NPD3666 Approved
0.5909 Remote Similarity NPD7830 Approved
0.5909 Remote Similarity NPD3665 Phase 1
0.5909 Remote Similarity NPD3133 Approved
0.5897 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5888 Remote Similarity NPD6929 Approved
0.5882 Remote Similarity NPD8392 Approved
0.5882 Remote Similarity NPD4700 Approved
0.5882 Remote Similarity NPD8390 Approved
0.5882 Remote Similarity NPD5285 Approved
0.5882 Remote Similarity NPD4696 Approved

Structure

External Identifiers

PubChem CID   44575955
ChEMBL   CHEMBL485848
ZINC  

Physicochemical Properties

Molecular Weight:  502.33
ALogP:  -2.4231
MLogP:  4.1
XLogP:  6.454
# Rotatable Bonds:  19
Polar Surface Area:  104.06
# H-Bond Aceptor:  6
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  36

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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