Natural Product: NPC477092

Natural Product ID:  NPC477092
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C32H44O9
Standard InCHIKey:  MXZPVULUCINOMS-JCBCUGBJSA-N
Standard InCHI:  InChI=1S/C32H44O9/c1-11-15(3)28(36)39-25-22-21(30(22,9)10)24(38-20(8)33)19(7)26(35)31-14-18(6)27(40-29(37)16(4)12-2)32(31,41-31)13-17(5)23(25)34/h11-13,18-19,21-25,27,34H,14H2,1-10H3/b15-11+,16-12+,17-13+/t18-,19+,21-,22+,23+,24+,25-,27-,31-,32-/m0/s1
Canonical SMILES:  C/C=C(/C(=O)O[C@@H]1[C@H](O)/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@@H]([C@@H]2OC(=O)/C(=C/C)/C)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
NPO12595 Euphorbia royleana Species Euphorbiaceae Eukaryota aerial parts Yuanjiang, Yunnan Province, China 2008-APR PMID[19438253]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 5 ug/ml 19438253
NPT2 Others Unspecified Inhibition = 2.9 % 19438253
NPT2 Others Unspecified Inhibition = 3.6 % 19438253
NPT2 Others Unspecified Inhibition = 4.7 % 19438253

  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 NPC477092 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 NPC475401
0.9817 High Similarity NPC475305
0.945 High Similarity NPC477093
0.945 High Similarity NPC473522
0.945 High Similarity NPC475277
0.9358 High Similarity NPC475495
0.8624 High Similarity NPC118405
0.8547 High Similarity NPC474286
0.8547 High Similarity NPC475130
0.8545 High Similarity NPC472755
0.8532 High Similarity NPC477356
0.8532 High Similarity NPC471767
0.8509 High Similarity NPC287311
0.8482 Intermediate Similarity NPC470192
0.8455 Intermediate Similarity NPC105725
0.8455 Intermediate Similarity NPC471757
0.8455 Intermediate Similarity NPC49393
0.8455 Intermediate Similarity NPC250594
0.8455 Intermediate Similarity NPC78127
0.8421 Intermediate Similarity NPC477103
0.8421 Intermediate Similarity NPC50223
0.8421 Intermediate Similarity NPC257240
0.8407 Intermediate Similarity NPC117604
0.8349 Intermediate Similarity NPC477355
0.8333 Intermediate Similarity NPC59489
0.8333 Intermediate Similarity NPC477102
0.8333 Intermediate Similarity NPC139838
0.8319 Intermediate Similarity NPC477513
0.8291 Intermediate Similarity NPC67290
0.8291 Intermediate Similarity NPC138303
0.8291 Intermediate Similarity NPC133677
0.8288 Intermediate Similarity NPC472754
0.8261 Intermediate Similarity NPC41551
0.8257 Intermediate Similarity NPC87090
0.8246 Intermediate Similarity NPC308191
0.823 Intermediate Similarity NPC54737
0.8226 Intermediate Similarity NPC236999
0.8205 Intermediate Similarity NPC106395
0.8205 Intermediate Similarity NPC101965
0.8205 Intermediate Similarity NPC46269
0.8205 Intermediate Similarity NPC101400
0.8198 Intermediate Similarity NPC472753
0.8189 Intermediate Similarity NPC471234
0.8182 Intermediate Similarity NPC470188
0.8174 Intermediate Similarity NPC15218
0.8174 Intermediate Similarity NPC77089
0.8165 Intermediate Similarity NPC477354
0.816 Intermediate Similarity NPC13071
0.8158 Intermediate Similarity NPC26617
0.8142 Intermediate Similarity NPC472756
0.8142 Intermediate Similarity NPC474741
0.8136 Intermediate Similarity NPC305044
0.8136 Intermediate Similarity NPC265290
0.812 Intermediate Similarity NPC123855
0.812 Intermediate Similarity NPC471933
0.812 Intermediate Similarity NPC98038
0.812 Intermediate Similarity NPC317687
0.812 Intermediate Similarity NPC76550
0.812 Intermediate Similarity NPC313921
0.812 Intermediate Similarity NPC138757
0.811 Intermediate Similarity NPC469673
0.811 Intermediate Similarity NPC58029
0.8095 Intermediate Similarity NPC196921
0.8095 Intermediate Similarity NPC220757
0.8087 Intermediate Similarity NPC55972
0.8087 Intermediate Similarity NPC327286
0.8087 Intermediate Similarity NPC169888
0.8087 Intermediate Similarity NPC233379
0.8087 Intermediate Similarity NPC14862
0.8087 Intermediate Similarity NPC474664
0.807 Intermediate Similarity NPC179891
0.807 Intermediate Similarity NPC44004
0.807 Intermediate Similarity NPC243998
0.807 Intermediate Similarity NPC223450
0.807 Intermediate Similarity NPC314244
0.8053 Intermediate Similarity NPC475945
0.8053 Intermediate Similarity NPC475871
0.8049 Intermediate Similarity NPC472399
0.8047 Intermediate Similarity NPC476823
0.8036 Intermediate Similarity NPC474339
0.8036 Intermediate Similarity NPC164598
0.8036 Intermediate Similarity NPC476270
0.8036 Intermediate Similarity NPC201718
0.8034 Intermediate Similarity NPC317107
0.8033 Intermediate Similarity NPC472001
0.8031 Intermediate Similarity NPC34963
0.8018 Intermediate Similarity NPC109556
0.8016 Intermediate Similarity NPC470880
0.8016 Intermediate Similarity NPC35109
0.8 Intermediate Similarity NPC239273
0.8 Intermediate Similarity NPC72813
0.8 Intermediate Similarity NPC474421
0.8 Intermediate Similarity NPC194620
0.8 Intermediate Similarity NPC476315
0.8 Intermediate Similarity NPC326994
0.8 Intermediate Similarity NPC471146
0.8 Intermediate Similarity NPC324327
0.7984 Intermediate Similarity NPC473709
0.7984 Intermediate Similarity NPC473919
0.7984 Intermediate Similarity NPC144625
0.7982 Intermediate Similarity NPC100487
0.7969 Intermediate Similarity NPC469674
0.7969 Intermediate Similarity NPC224623
0.7967 Intermediate Similarity NPC19464
0.7967 Intermediate Similarity NPC107493
0.7965 Intermediate Similarity NPC149371
0.7965 Intermediate Similarity NPC474747
0.7965 Intermediate Similarity NPC471148
0.7955 Intermediate Similarity NPC25887
0.7953 Intermediate Similarity NPC241935
0.7953 Intermediate Similarity NPC279478
0.7949 Intermediate Similarity NPC115257
0.7949 Intermediate Similarity NPC161816
0.7946 Intermediate Similarity NPC288876
0.7946 Intermediate Similarity NPC475949
0.7937 Intermediate Similarity NPC172823
0.7917 Intermediate Similarity NPC148458
0.7913 Intermediate Similarity NPC472751
0.7913 Intermediate Similarity NPC472749
0.7913 Intermediate Similarity NPC475802
0.7913 Intermediate Similarity NPC474101
0.7913 Intermediate Similarity NPC16313
0.7913 Intermediate Similarity NPC9303
0.7909 Intermediate Similarity NPC270013
0.7909 Intermediate Similarity NPC36954
0.7909 Intermediate Similarity NPC14961
0.7903 Intermediate Similarity NPC469789
0.7903 Intermediate Similarity NPC473802
0.7895 Intermediate Similarity NPC123505
0.789 Intermediate Similarity NPC202824
0.789 Intermediate Similarity NPC125180
0.789 Intermediate Similarity NPC477361
0.7886 Intermediate Similarity NPC472000
0.7886 Intermediate Similarity NPC470829
0.7886 Intermediate Similarity NPC471999
0.7886 Intermediate Similarity NPC472401
0.7886 Intermediate Similarity NPC52839
0.7886 Intermediate Similarity NPC46570
0.7886 Intermediate Similarity NPC473228
0.7876 Intermediate Similarity NPC477950
0.7876 Intermediate Similarity NPC47880
0.7876 Intermediate Similarity NPC171759
0.7876 Intermediate Similarity NPC185141
0.7876 Intermediate Similarity NPC264477
0.7876 Intermediate Similarity NPC474742
0.7876 Intermediate Similarity NPC46998
0.7876 Intermediate Similarity NPC128733
0.7876 Intermediate Similarity NPC150923
0.7876 Intermediate Similarity NPC110443
0.7876 Intermediate Similarity NPC133907
0.7876 Intermediate Similarity NPC477511
0.7863 Intermediate Similarity NPC475922
0.7863 Intermediate Similarity NPC47951
0.7863 Intermediate Similarity NPC471934
0.7857 Intermediate Similarity NPC473253
0.7857 Intermediate Similarity NPC473265
0.7857 Intermediate Similarity NPC471940
0.7857 Intermediate Similarity NPC161855
0.7857 Intermediate Similarity NPC471144
0.7845 Intermediate Similarity NPC473911
0.784 Intermediate Similarity NPC8374
0.7826 Intermediate Similarity NPC220964
0.7826 Intermediate Similarity NPC203659
0.7826 Intermediate Similarity NPC169843
0.7826 Intermediate Similarity NPC475676
0.7826 Intermediate Similarity NPC472748
0.7823 Intermediate Similarity NPC23786
0.7823 Intermediate Similarity NPC269642
0.7823 Intermediate Similarity NPC162009
0.7823 Intermediate Similarity NPC470265
0.7823 Intermediate Similarity NPC257017
0.7818 Intermediate Similarity NPC474035
0.7818 Intermediate Similarity NPC81386
0.7815 Intermediate Similarity NPC170487
0.7812 Intermediate Similarity NPC213634
0.7812 Intermediate Similarity NPC469351
0.7807 Intermediate Similarity NPC320019
0.7807 Intermediate Similarity NPC324017
0.7805 Intermediate Similarity NPC471126
0.7805 Intermediate Similarity NPC157252
0.7805 Intermediate Similarity NPC79579
0.7805 Intermediate Similarity NPC471128
0.7805 Intermediate Similarity NPC145182
0.7798 Intermediate Similarity NPC221282
0.7788 Intermediate Similarity NPC280963
0.7788 Intermediate Similarity NPC471381
0.7788 Intermediate Similarity NPC186861
0.7787 Intermediate Similarity NPC118638
0.7786 Intermediate Similarity NPC477097
0.7786 Intermediate Similarity NPC477099
0.7786 Intermediate Similarity NPC477101
0.7778 Intermediate Similarity NPC293112
0.7778 Intermediate Similarity NPC471939
0.7778 Intermediate Similarity NPC473635
0.7778 Intermediate Similarity NPC322903
0.7778 Intermediate Similarity NPC15095
0.7769 Intermediate Similarity NPC255450
0.7769 Intermediate Similarity NPC170692
0.7768 Intermediate Similarity NPC40812
0.7761 Intermediate Similarity NPC470426

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477092 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
0.8421 Intermediate Similarity NPD6371 Approved
0.8158 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD6319 Approved
0.7545 Intermediate Similarity NPD5785 Approved
0.7419 Intermediate Similarity NPD7115 Discovery
0.7387 Intermediate Similarity NPD46 Approved
0.7387 Intermediate Similarity NPD6698 Approved
0.7377 Intermediate Similarity NPD8297 Approved
0.7321 Intermediate Similarity NPD7983 Approved
0.7287 Intermediate Similarity NPD7492 Approved
0.7252 Intermediate Similarity NPD7736 Approved
0.7244 Intermediate Similarity NPD6054 Approved
0.7232 Intermediate Similarity NPD7838 Discovery
0.7231 Intermediate Similarity NPD6616 Approved
0.7176 Intermediate Similarity NPD7078 Approved
0.7176 Intermediate Similarity NPD8293 Discontinued
0.7154 Intermediate Similarity NPD6650 Approved
0.7154 Intermediate Similarity NPD6649 Approved
0.7132 Intermediate Similarity NPD6370 Approved
0.7131 Intermediate Similarity NPD6373 Approved
0.7131 Intermediate Similarity NPD6372 Approved
0.713 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7109 Intermediate Similarity NPD6059 Approved
0.7097 Intermediate Similarity NPD6053 Discontinued
0.7091 Intermediate Similarity NPD5363 Approved
0.7077 Intermediate Similarity NPD7604 Phase 2
0.7068 Intermediate Similarity NPD7319 Approved
0.7054 Intermediate Similarity NPD6015 Approved
0.7054 Intermediate Similarity NPD6016 Approved
0.7049 Intermediate Similarity NPD6881 Approved
0.7049 Intermediate Similarity NPD6899 Approved
0.704 Intermediate Similarity NPD4632 Approved
0.7027 Intermediate Similarity NPD5786 Approved
0.7025 Intermediate Similarity NPD5739 Approved
0.7025 Intermediate Similarity NPD7128 Approved
0.7025 Intermediate Similarity NPD6675 Approved
0.7025 Intermediate Similarity NPD6402 Approved
0.7016 Intermediate Similarity NPD8130 Phase 1
0.7 Intermediate Similarity NPD5988 Approved
0.697 Remote Similarity NPD7507 Approved
0.6967 Remote Similarity NPD5697 Approved
0.696 Remote Similarity NPD6882 Approved
0.6935 Remote Similarity NPD7290 Approved
0.6935 Remote Similarity NPD4634 Approved
0.6935 Remote Similarity NPD6883 Approved
0.6935 Remote Similarity NPD7102 Approved
0.6911 Remote Similarity NPD6686 Approved
0.6911 Remote Similarity NPD7320 Approved
0.688 Remote Similarity NPD6847 Approved
0.688 Remote Similarity NPD6869 Approved
0.688 Remote Similarity NPD8413 Clinical (unspecified phase)
0.688 Remote Similarity NPD6617 Approved
0.6875 Remote Similarity NPD6009 Approved
0.6864 Remote Similarity NPD6083 Phase 2
0.6864 Remote Similarity NPD6084 Phase 2
0.6855 Remote Similarity NPD6014 Approved
0.6855 Remote Similarity NPD6013 Approved
0.6855 Remote Similarity NPD6012 Approved
0.6842 Remote Similarity NPD1695 Approved
0.6833 Remote Similarity NPD5344 Discontinued
0.6829 Remote Similarity NPD5701 Approved
0.6818 Remote Similarity NPD4270 Approved
0.6818 Remote Similarity NPD6435 Approved
0.6818 Remote Similarity NPD4269 Approved
0.6807 Remote Similarity NPD4225 Approved
0.6794 Remote Similarity NPD5983 Phase 2
0.6786 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6774 Remote Similarity NPD6011 Approved
0.6752 Remote Similarity NPD5282 Discontinued
0.6748 Remote Similarity NPD6008 Approved
0.6727 Remote Similarity NPD5369 Approved
0.6716 Remote Similarity NPD6336 Discontinued
0.6695 Remote Similarity NPD5695 Phase 3
0.6692 Remote Similarity NPD8328 Phase 3
0.6667 Remote Similarity NPD4250 Approved
0.6667 Remote Similarity NPD5696 Approved
0.6667 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8513 Phase 3
0.6667 Remote Similarity NPD4251 Approved
0.6667 Remote Similarity NPD8516 Approved
0.6667 Remote Similarity NPD8517 Approved
0.6667 Remote Similarity NPD8515 Approved
0.6667 Remote Similarity NPD8033 Approved
0.664 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6639 Remote Similarity NPD5211 Phase 2
0.6636 Remote Similarity NPD4822 Approved
0.6636 Remote Similarity NPD4820 Approved
0.6636 Remote Similarity NPD4819 Approved
0.6636 Remote Similarity NPD4821 Approved
0.6636 Remote Similarity NPD4252 Approved
0.6636 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5368 Approved
0.6618 Remote Similarity NPD6033 Approved
0.6614 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6612 Remote Similarity NPD7640 Approved
0.6612 Remote Similarity NPD7639 Approved
0.6607 Remote Similarity NPD5362 Discontinued
0.6596 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6594 Remote Similarity NPD7260 Phase 2
0.6587 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6579 Remote Similarity NPD4249 Approved
0.6567 Remote Similarity NPD7642 Approved
0.656 Remote Similarity NPD6412 Phase 2
0.6538 Remote Similarity NPD6274 Approved
0.6535 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6532 Remote Similarity NPD4056 Clinical (unspecified phase)
0.6532 Remote Similarity NPD5141 Approved
0.6532 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7638 Approved
0.6525 Remote Similarity NPD5778 Approved
0.6525 Remote Similarity NPD5779 Approved
0.6515 Remote Similarity NPD7101 Approved
0.6515 Remote Similarity NPD7100 Approved
0.6491 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6475 Remote Similarity NPD6648 Approved
0.6475 Remote Similarity NPD5285 Approved
0.6475 Remote Similarity NPD4696 Approved
0.6475 Remote Similarity NPD5286 Approved
0.6466 Remote Similarity NPD8377 Approved
0.6466 Remote Similarity NPD8294 Approved
0.646 Remote Similarity NPD7154 Phase 3
0.6455 Remote Similarity NPD4268 Approved
0.6455 Remote Similarity NPD4271 Approved
0.6455 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6446 Remote Similarity NPD4755 Approved
0.6444 Remote Similarity NPD7829 Approved
0.6444 Remote Similarity NPD7830 Approved
0.6441 Remote Similarity NPD7637 Suspended
0.6441 Remote Similarity NPD5693 Phase 1
0.6439 Remote Similarity NPD7327 Approved
0.6439 Remote Similarity NPD7328 Approved
0.6439 Remote Similarity NPD6335 Approved
0.6423 Remote Similarity NPD8074 Phase 3
0.6418 Remote Similarity NPD8379 Approved
0.6418 Remote Similarity NPD8296 Approved
0.6418 Remote Similarity NPD8378 Approved
0.6418 Remote Similarity NPD8335 Approved
0.6418 Remote Similarity NPD8380 Approved
0.6418 Remote Similarity NPD7503 Approved
0.6403 Remote Similarity NPD5956 Approved
0.6391 Remote Similarity NPD7516 Approved
0.6372 Remote Similarity NPD5209 Approved
0.6372 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6371 Remote Similarity NPD4633 Approved
0.6371 Remote Similarity NPD5225 Approved
0.6371 Remote Similarity NPD5224 Approved
0.6371 Remote Similarity NPD5226 Approved
0.6364 Remote Similarity NPD6317 Approved
0.6364 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6364 Remote Similarity NPD7839 Suspended
0.6341 Remote Similarity NPD4700 Approved
0.632 Remote Similarity NPD5174 Approved
0.632 Remote Similarity NPD5175 Approved
0.6316 Remote Similarity NPD6314 Approved
0.6316 Remote Similarity NPD6110 Phase 1
0.6316 Remote Similarity NPD6313 Approved
0.6312 Remote Similarity NPD6845 Suspended
0.6299 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6296 Remote Similarity NPD6909 Approved
0.6296 Remote Similarity NPD6908 Approved
0.629 Remote Similarity NPD1700 Approved
0.629 Remote Similarity NPD5223 Approved
0.6281 Remote Similarity NPD5210 Approved
0.6281 Remote Similarity NPD4629 Approved
0.6271 Remote Similarity NPD6080 Approved
0.6271 Remote Similarity NPD4753 Phase 2
0.6271 Remote Similarity NPD6673 Approved
0.6271 Remote Similarity NPD6904 Approved
0.6269 Remote Similarity NPD4522 Approved
0.626 Remote Similarity NPD8133 Approved
0.625 Remote Similarity NPD6399 Phase 3
0.625 Remote Similarity NPD8080 Discontinued
0.625 Remote Similarity NPD4730 Approved
0.625 Remote Similarity NPD4729 Approved
0.6232 Remote Similarity NPD8273 Phase 1
0.622 Remote Similarity NPD4767 Approved
0.622 Remote Similarity NPD4768 Approved
0.6186 Remote Similarity NPD5737 Approved
0.6186 Remote Similarity NPD6672 Approved
0.6176 Remote Similarity NPD6921 Approved
0.6176 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6174 Remote Similarity NPD5331 Approved
0.6174 Remote Similarity NPD5332 Approved
0.6167 Remote Similarity NPD6411 Approved
0.6167 Remote Similarity NPD6050 Approved
0.6154 Remote Similarity NPD5248 Approved
0.6154 Remote Similarity NPD5247 Approved
0.6154 Remote Similarity NPD5249 Phase 3
0.6154 Remote Similarity NPD5250 Approved
0.6154 Remote Similarity NPD5251 Approved
0.6148 Remote Similarity NPD6356 Clinical (unspecified phase)
0.614 Remote Similarity NPD4790 Discontinued
0.6124 Remote Similarity NPD5128 Approved
0.6121 Remote Similarity NPD7799 Discontinued
0.6115 Remote Similarity NPD8451 Approved
0.6111 Remote Similarity NPD7632 Discontinued
0.6102 Remote Similarity NPD7524 Approved
0.6098 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6083 Remote Similarity NPD5692 Phase 3
0.6071 Remote Similarity NPD8448 Approved

Structure

External Identifiers

PubChem CID   44179419
ChEMBL   CHEMBL555261
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  
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Biological Activities  
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