Natural Product: NPC106395

Natural Product ID:  NPC106395
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H42O6
Standard InCHIKey:  XMXZQPNIMGCMHC-RIEFUZAHSA-N
Standard InCHI:  InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1
Canonical SMILES:  CCCCC/C=C/C=C/C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)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 roots PMID[12350140]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity > 75 % 19368377

  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 NPC106395 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 NPC46269
0.9905 High Similarity NPC133677
0.9905 High Similarity NPC138303
0.9905 High Similarity NPC67290
0.9904 High Similarity NPC138757
0.9904 High Similarity NPC76550
0.9904 High Similarity NPC123855
0.9712 High Similarity NPC257240
0.9615 High Similarity NPC47951
0.9429 High Similarity NPC477102
0.934 High Similarity NPC477103
0.9333 High Similarity NPC308191
0.9327 High Similarity NPC179891
0.9074 High Similarity NPC287311
0.8611 High Similarity NPC473488
0.8611 High Similarity NPC475661
0.8532 High Similarity NPC473911
0.8519 High Similarity NPC203659
0.8462 Intermediate Similarity NPC261341
0.8448 Intermediate Similarity NPC475885
0.8426 Intermediate Similarity NPC110989
0.8362 Intermediate Similarity NPC236918
0.8362 Intermediate Similarity NPC156745
0.8349 Intermediate Similarity NPC100487
0.8333 Intermediate Similarity NPC225353
0.8291 Intermediate Similarity NPC329080
0.8291 Intermediate Similarity NPC472759
0.8273 Intermediate Similarity NPC243998
0.8264 Intermediate Similarity NPC236999
0.8257 Intermediate Similarity NPC475871
0.8257 Intermediate Similarity NPC475945
0.822 Intermediate Similarity NPC473228
0.822 Intermediate Similarity NPC470829
0.8205 Intermediate Similarity NPC477092
0.8198 Intermediate Similarity NPC26617
0.819 Intermediate Similarity NPC471145
0.8182 Intermediate Similarity NPC474741
0.8182 Intermediate Similarity NPC309190
0.8167 Intermediate Similarity NPC145238
0.8165 Intermediate Similarity NPC86077
0.8165 Intermediate Similarity NPC474747
0.8136 Intermediate Similarity NPC19336
0.8136 Intermediate Similarity NPC185876
0.812 Intermediate Similarity NPC475401
0.812 Intermediate Similarity NPC146280
0.812 Intermediate Similarity NPC124676
0.812 Intermediate Similarity NPC472760
0.8113 Intermediate Similarity NPC304886
0.8108 Intermediate Similarity NPC223450
0.8103 Intermediate Similarity NPC471127
0.8103 Intermediate Similarity NPC234858
0.8103 Intermediate Similarity NPC154363
0.8083 Intermediate Similarity NPC472399
0.8073 Intermediate Similarity NPC150923
0.8073 Intermediate Similarity NPC474742
0.807 Intermediate Similarity NPC71680
0.8056 Intermediate Similarity NPC141191
0.8051 Intermediate Similarity NPC180640
0.8034 Intermediate Similarity NPC475305
0.8034 Intermediate Similarity NPC10721
0.8033 Intermediate Similarity NPC471940
0.8019 Intermediate Similarity NPC167219
0.8017 Intermediate Similarity NPC472400
0.8 Intermediate Similarity NPC162009
0.8 Intermediate Similarity NPC257017
0.7983 Intermediate Similarity NPC145182
0.7983 Intermediate Similarity NPC471128
0.7983 Intermediate Similarity NPC471126
0.7983 Intermediate Similarity NPC157252
0.7982 Intermediate Similarity NPC15551
0.7966 Intermediate Similarity NPC13710
0.7963 Intermediate Similarity NPC477949
0.7963 Intermediate Similarity NPC169205
0.7951 Intermediate Similarity NPC471939
0.7931 Intermediate Similarity NPC71889
0.7931 Intermediate Similarity NPC472757
0.7928 Intermediate Similarity NPC472755
0.7917 Intermediate Similarity NPC472401
0.7917 Intermediate Similarity NPC52839
0.7909 Intermediate Similarity NPC116139
0.7909 Intermediate Similarity NPC472753
0.7909 Intermediate Similarity NPC171759
0.7905 Intermediate Similarity NPC473448
0.789 Intermediate Similarity NPC161855
0.7881 Intermediate Similarity NPC471146
0.7881 Intermediate Similarity NPC156252
0.7881 Intermediate Similarity NPC153651
0.7881 Intermediate Similarity NPC475323
0.787 Intermediate Similarity NPC473291
0.787 Intermediate Similarity NPC185553
0.7869 Intermediate Similarity NPC473919
0.7869 Intermediate Similarity NPC473709
0.7863 Intermediate Similarity NPC265290
0.7863 Intermediate Similarity NPC305044
0.7863 Intermediate Similarity NPC474872
0.7857 Intermediate Similarity NPC472756
0.7857 Intermediate Similarity NPC475676
0.7857 Intermediate Similarity NPC220964
0.7851 Intermediate Similarity NPC19464
0.785 Intermediate Similarity NPC198853
0.785 Intermediate Similarity NPC470010
0.785 Intermediate Similarity NPC323008
0.785 Intermediate Similarity NPC65829
0.785 Intermediate Similarity NPC470013
0.785 Intermediate Similarity NPC477131
0.785 Intermediate Similarity NPC262133
0.7845 Intermediate Similarity NPC241477
0.7838 Intermediate Similarity NPC472754
0.7838 Intermediate Similarity NPC66110
0.783 Intermediate Similarity NPC476705
0.7826 Intermediate Similarity NPC181298
0.7818 Intermediate Similarity NPC475053
0.7818 Intermediate Similarity NPC288876
0.7815 Intermediate Similarity NPC472758
0.7815 Intermediate Similarity NPC171905
0.7815 Intermediate Similarity NPC471125
0.7815 Intermediate Similarity NPC288679
0.7815 Intermediate Similarity NPC472397
0.7807 Intermediate Similarity NPC474664
0.7807 Intermediate Similarity NPC233379
0.7807 Intermediate Similarity NPC14862
0.7798 Intermediate Similarity NPC311904
0.7798 Intermediate Similarity NPC213947
0.7798 Intermediate Similarity NPC40812
0.7798 Intermediate Similarity NPC161493
0.7798 Intermediate Similarity NPC108475
0.7798 Intermediate Similarity NPC170143
0.7788 Intermediate Similarity NPC54737
0.7787 Intermediate Similarity NPC473802
0.7778 Intermediate Similarity NPC14961
0.7778 Intermediate Similarity NPC52044
0.7778 Intermediate Similarity NPC90121
0.7778 Intermediate Similarity NPC275960
0.7778 Intermediate Similarity NPC220221
0.7778 Intermediate Similarity NPC193645
0.7778 Intermediate Similarity NPC36954
0.7778 Intermediate Similarity NPC270013
0.7778 Intermediate Similarity NPC469454
0.7778 Intermediate Similarity NPC209058
0.7778 Intermediate Similarity NPC48803
0.7778 Intermediate Similarity NPC469873
0.7778 Intermediate Similarity NPC67584
0.7778 Intermediate Similarity NPC469496
0.7778 Intermediate Similarity NPC469463
0.7769 Intermediate Similarity NPC67569
0.7769 Intermediate Similarity NPC46570
0.7768 Intermediate Similarity NPC4620
0.7768 Intermediate Similarity NPC124881
0.7768 Intermediate Similarity NPC475873
0.7759 Intermediate Similarity NPC158523
0.7759 Intermediate Similarity NPC475495
0.7759 Intermediate Similarity NPC470961
0.7759 Intermediate Similarity NPC260786
0.7759 Intermediate Similarity NPC475937
0.7759 Intermediate Similarity NPC96739
0.7759 Intermediate Similarity NPC174471
0.7759 Intermediate Similarity NPC474871
0.7759 Intermediate Similarity NPC317107
0.7757 Intermediate Similarity NPC475912
0.775 Intermediate Similarity NPC5989
0.775 Intermediate Similarity NPC22628
0.775 Intermediate Similarity NPC275696
0.775 Intermediate Similarity NPC5991
0.775 Intermediate Similarity NPC471108
0.775 Intermediate Similarity NPC255081
0.7748 Intermediate Similarity NPC477950
0.7748 Intermediate Similarity NPC164598
0.7748 Intermediate Similarity NPC206079
0.7748 Intermediate Similarity NPC474339
0.7748 Intermediate Similarity NPC62670
0.7739 Intermediate Similarity NPC475274
0.7739 Intermediate Similarity NPC273433
0.7739 Intermediate Similarity NPC15218
0.7727 Intermediate Similarity NPC221615
0.7727 Intermediate Similarity NPC244411
0.7727 Intermediate Similarity NPC83895
0.7727 Intermediate Similarity NPC187761
0.7727 Intermediate Similarity NPC64742
0.7724 Intermediate Similarity NPC144625
0.7724 Intermediate Similarity NPC8374
0.7719 Intermediate Similarity NPC194620
0.7719 Intermediate Similarity NPC72813
0.7719 Intermediate Similarity NPC470192
0.7719 Intermediate Similarity NPC474421
0.7719 Intermediate Similarity NPC324327
0.7719 Intermediate Similarity NPC326994
0.7712 Intermediate Similarity NPC216665
0.7706 Intermediate Similarity NPC279621
0.7706 Intermediate Similarity NPC24956
0.7706 Intermediate Similarity NPC213078
0.7706 Intermediate Similarity NPC476315
0.7706 Intermediate Similarity NPC18019
0.7706 Intermediate Similarity NPC230800
0.7705 Intermediate Similarity NPC23786
0.7705 Intermediate Similarity NPC107493
0.7705 Intermediate Similarity NPC470265
0.7699 Intermediate Similarity NPC296950
0.7699 Intermediate Similarity NPC146731
0.7692 Intermediate Similarity NPC151216
0.7692 Intermediate Similarity NPC170212

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC106395 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
0.9712 High Similarity NPD6371 Approved
0.8198 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7736 Intermediate Similarity NPD5785 Approved
0.757 Intermediate Similarity NPD7838 Discovery
0.75 Intermediate Similarity NPD7983 Approved
0.7438 Intermediate Similarity NPD7115 Discovery
0.7407 Intermediate Similarity NPD6698 Approved
0.7407 Intermediate Similarity NPD46 Approved
0.7315 Intermediate Similarity NPD1695 Approved
0.7308 Intermediate Similarity NPD5209 Approved
0.7264 Intermediate Similarity NPD5363 Approved
0.7105 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD4225 Approved
0.7059 Intermediate Similarity NPD6686 Approved
0.7054 Intermediate Similarity NPD5282 Discontinued
0.6983 Remote Similarity NPD5344 Discontinued
0.6981 Remote Similarity NPD4270 Approved
0.6981 Remote Similarity NPD4269 Approved
0.6964 Remote Similarity NPD5779 Approved
0.6964 Remote Similarity NPD5778 Approved
0.6916 Remote Similarity NPD5362 Discontinued
0.6897 Remote Similarity NPD6648 Approved
0.6887 Remote Similarity NPD5369 Approved
0.6881 Remote Similarity NPD5786 Approved
0.6875 Remote Similarity NPD7637 Suspended
0.685 Remote Similarity NPD6319 Approved
0.6829 Remote Similarity NPD6053 Discontinued
0.6797 Remote Similarity NPD8517 Approved
0.6797 Remote Similarity NPD8513 Phase 3
0.6797 Remote Similarity NPD8515 Approved
0.6797 Remote Similarity NPD8516 Approved
0.6792 Remote Similarity NPD4252 Approved
0.6759 Remote Similarity NPD7154 Phase 3
0.6748 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6718 Remote Similarity NPD8273 Phase 1
0.6692 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD4250 Approved
0.6667 Remote Similarity NPD4251 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6641 Remote Similarity NPD7492 Approved
0.664 Remote Similarity NPD4632 Approved
0.6636 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6636 Remote Similarity NPD4822 Approved
0.6636 Remote Similarity NPD4819 Approved
0.6636 Remote Similarity NPD4821 Approved
0.6636 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6636 Remote Similarity NPD4820 Approved
0.661 Remote Similarity NPD7640 Approved
0.661 Remote Similarity NPD7639 Approved
0.6604 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6591 Remote Similarity NPD6616 Approved
0.6591 Remote Similarity NPD7507 Approved
0.6589 Remote Similarity NPD6054 Approved
0.6585 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6579 Remote Similarity NPD6411 Approved
0.6577 Remote Similarity NPD4249 Approved
0.6565 Remote Similarity NPD7604 Phase 2
0.656 Remote Similarity NPD8297 Approved
0.6557 Remote Similarity NPD6412 Phase 2
0.6541 Remote Similarity NPD7078 Approved
0.6541 Remote Similarity NPD8074 Phase 3
0.6525 Remote Similarity NPD7638 Approved
0.6514 Remote Similarity NPD6435 Approved
0.6504 Remote Similarity NPD6881 Approved
0.6504 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6504 Remote Similarity NPD6899 Approved
0.6496 Remote Similarity NPD7839 Suspended
0.6493 Remote Similarity NPD7736 Approved
0.6489 Remote Similarity NPD6370 Approved
0.6486 Remote Similarity NPD6082 Clinical (unspecified phase)
0.648 Remote Similarity NPD6649 Approved
0.648 Remote Similarity NPD6650 Approved
0.6449 Remote Similarity NPD4268 Approved
0.6449 Remote Similarity NPD4271 Approved
0.6441 Remote Similarity NPD6084 Phase 2
0.6441 Remote Similarity NPD6083 Phase 2
0.6439 Remote Similarity NPD7829 Approved
0.6439 Remote Similarity NPD7642 Approved
0.6439 Remote Similarity NPD7830 Approved
0.6435 Remote Similarity NPD5281 Approved
0.6435 Remote Similarity NPD5284 Approved
0.6423 Remote Similarity NPD5697 Approved
0.6412 Remote Similarity NPD6016 Approved
0.6412 Remote Similarity NPD6015 Approved
0.6404 Remote Similarity NPD6101 Approved
0.6404 Remote Similarity NPD5764 Clinical (unspecified phase)
0.64 Remote Similarity NPD5955 Clinical (unspecified phase)
0.64 Remote Similarity NPD7290 Approved
0.64 Remote Similarity NPD7102 Approved
0.64 Remote Similarity NPD4634 Approved
0.64 Remote Similarity NPD6883 Approved
0.6372 Remote Similarity NPD7524 Approved
0.6364 Remote Similarity NPD5988 Approved
0.6357 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6357 Remote Similarity NPD6009 Approved
0.635 Remote Similarity NPD7260 Phase 2
0.6349 Remote Similarity NPD6847 Approved
0.6349 Remote Similarity NPD6617 Approved
0.6349 Remote Similarity NPD8130 Phase 1
0.6349 Remote Similarity NPD6869 Approved
0.6341 Remote Similarity NPD7128 Approved
0.6341 Remote Similarity NPD6675 Approved
0.6341 Remote Similarity NPD6008 Approved
0.6341 Remote Similarity NPD5739 Approved
0.6341 Remote Similarity NPD6402 Approved
0.6339 Remote Similarity NPD1694 Approved
0.6336 Remote Similarity NPD6059 Approved
0.633 Remote Similarity NPD5368 Approved
0.632 Remote Similarity NPD6373 Approved
0.632 Remote Similarity NPD6012 Approved
0.632 Remote Similarity NPD6014 Approved
0.632 Remote Similarity NPD6372 Approved
0.632 Remote Similarity NPD6013 Approved
0.6308 Remote Similarity NPD7327 Approved
0.6308 Remote Similarity NPD7328 Approved
0.6306 Remote Similarity NPD5332 Approved
0.6306 Remote Similarity NPD5331 Approved
0.6299 Remote Similarity NPD6882 Approved
0.6296 Remote Similarity NPD8293 Discontinued
0.6288 Remote Similarity NPD8033 Approved
0.6288 Remote Similarity NPD5983 Phase 2
0.6273 Remote Similarity NPD4790 Discontinued
0.6271 Remote Similarity NPD5695 Phase 3
0.626 Remote Similarity NPD7516 Approved
0.625 Remote Similarity NPD5696 Approved
0.625 Remote Similarity NPD7338 Clinical (unspecified phase)
0.624 Remote Similarity NPD6011 Approved
0.624 Remote Similarity NPD7320 Approved
0.6239 Remote Similarity NPD6399 Phase 3
0.6231 Remote Similarity NPD7500 Approved
0.623 Remote Similarity NPD5211 Phase 2
0.6222 Remote Similarity NPD8451 Approved
0.6222 Remote Similarity NPD6336 Discontinued
0.6216 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6212 Remote Similarity NPD8377 Approved
0.6212 Remote Similarity NPD8294 Approved
0.6183 Remote Similarity NPD7641 Discontinued
0.6176 Remote Similarity NPD8448 Approved
0.6165 Remote Similarity NPD8379 Approved
0.6165 Remote Similarity NPD8335 Approved
0.6165 Remote Similarity NPD8296 Approved
0.6165 Remote Similarity NPD8444 Approved
0.6165 Remote Similarity NPD8380 Approved
0.6165 Remote Similarity NPD8378 Approved
0.6161 Remote Similarity NPD6695 Phase 3
0.616 Remote Similarity NPD5954 Clinical (unspecified phase)
0.616 Remote Similarity NPD5701 Approved
0.6148 Remote Similarity NPD8342 Approved
0.6148 Remote Similarity NPD8341 Approved
0.6148 Remote Similarity NPD8340 Approved
0.6148 Remote Similarity NPD8299 Approved
0.6134 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6134 Remote Similarity NPD4629 Approved
0.6134 Remote Similarity NPD5210 Approved
0.6129 Remote Similarity NPD5141 Approved
0.6124 Remote Similarity NPD8133 Approved
0.6121 Remote Similarity NPD5370 Suspended
0.6098 Remote Similarity NPD7632 Discontinued
0.6074 Remote Similarity NPD8328 Phase 3
0.6071 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6068 Remote Similarity NPD5207 Approved
0.6066 Remote Similarity NPD4696 Approved
0.6066 Remote Similarity NPD5286 Approved
0.6066 Remote Similarity NPD5285 Approved
0.6053 Remote Similarity NPD1696 Phase 3
0.6043 Remote Similarity NPD5956 Approved
0.6043 Remote Similarity NPD8392 Approved
0.6043 Remote Similarity NPD8391 Approved
0.6043 Remote Similarity NPD8390 Approved
0.6036 Remote Similarity NPD7332 Phase 2
0.6019 Remote Similarity NPD8039 Approved
0.6018 Remote Similarity NPD6110 Phase 1
0.6017 Remote Similarity NPD6050 Approved
0.6017 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6017 Remote Similarity NPD5693 Phase 1
0.6017 Remote Similarity NPD5694 Approved
0.6015 Remote Similarity NPD4522 Approved
0.6015 Remote Similarity NPD7100 Approved
0.6015 Remote Similarity NPD7101 Approved
0.6 Remote Similarity NPD5330 Approved
0.6 Remote Similarity NPD7146 Approved
0.6 Remote Similarity NPD7334 Approved
0.6 Remote Similarity NPD6684 Approved
0.6 Remote Similarity NPD7521 Approved
0.6 Remote Similarity NPD6409 Approved
0.5983 Remote Similarity NPD4753 Phase 2
0.5982 Remote Similarity NPD6902 Approved
0.5969 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5969 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5968 Remote Similarity NPD5225 Approved
0.5968 Remote Similarity NPD4633 Approved
0.5968 Remote Similarity NPD5226 Approved
0.5968 Remote Similarity NPD5224 Approved
0.5965 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5957 Remote Similarity NPD6845 Suspended
0.5948 Remote Similarity NPD7750 Discontinued
0.594 Remote Similarity NPD6335 Approved
0.5932 Remote Similarity NPD5692 Phase 3
0.5926 Remote Similarity NPD6921 Approved

Structure

External Identifiers

PubChem CID   9848770
ChEMBL   CHEMBL487081
ZINC  

Physicochemical Properties

Molecular Weight:  498.30
ALogP:  -0.2214
MLogP:  4.1
XLogP:  5.899
# Rotatable Bonds:  17
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  
Source Organisms  
Biological Activities  
Similar NPs/Drugs