Natural Product: NPC292803

Natural Product ID:  NPC292803
Common Name:   Ginkgolide M
IUPAC Name:  
Synonyms:   Ginkgolide M
Molecular Formula:   C20H24O10
Standard InCHIKey:  KDKROYXEHCYLJQ-DDQXZYLESA-N
Standard InCHI:  InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6-,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
Canonical SMILES:  O=C1O[C@@H]2[C@H]([C@@H]1C)[C@@]13[C@]4([C@H]2O)C(OC3=O)[C@@H]([C@H](C24C(O1)OC(=O)[C@@H]2O)C(C)(C)C)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
NPO26293 Ginkgo biloba Species Ginkgoaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens IC50 = 780 nM 17352465
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens IC50 = 794.33 nM 17352465
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens IC50 = 560 nM 17352465
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens IC50 = 501.19 nM 17352465
NPT4324 Individual Protein Glycine receptor subunit alpha-2 Homo sapiens IC50 = 1258.93 nM 17352465
NPT4324 Individual Protein Glycine receptor subunit alpha-2 Homo sapiens IC50 = 1300 nM 17352465
NPT426 Individual Protein Glycine receptor subunit alpha-1 Homo sapiens IC50 = 650 nM 17352465

  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 NPC292803 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
0.9792 High Similarity NPC114365
0.9792 High Similarity NPC18044
0.9792 High Similarity NPC177518
0.9792 High Similarity NPC154962
0.9792 High Similarity NPC132304
0.9792 High Similarity NPC88890
0.9792 High Similarity NPC18433
0.9792 High Similarity NPC169089
0.9792 High Similarity NPC123070
0.8969 High Similarity NPC328180
0.8969 High Similarity NPC278028
0.8571 High Similarity NPC182185
0.8558 High Similarity NPC220773
0.8558 High Similarity NPC278693
0.8544 High Similarity NPC168890
0.8476 Intermediate Similarity NPC217041
0.8411 Intermediate Similarity NPC98870
0.8381 Intermediate Similarity NPC167044
0.8365 Intermediate Similarity NPC41674
0.8365 Intermediate Similarity NPC469441
0.8365 Intermediate Similarity NPC228311
0.8286 Intermediate Similarity NPC290247
0.8286 Intermediate Similarity NPC469787
0.8286 Intermediate Similarity NPC469788
0.8286 Intermediate Similarity NPC176756
0.8208 Intermediate Similarity NPC329876
0.7857 Intermediate Similarity NPC31349
0.7812 Intermediate Similarity NPC157328
0.781 Intermediate Similarity NPC162024
0.7788 Intermediate Similarity NPC274695
0.7778 Intermediate Similarity NPC470009
0.7755 Intermediate Similarity NPC470657
0.7685 Intermediate Similarity NPC166079
0.7664 Intermediate Similarity NPC469350
0.7619 Intermediate Similarity NPC211087
0.7593 Intermediate Similarity NPC473526
0.7593 Intermediate Similarity NPC100078
0.7593 Intermediate Similarity NPC473701
0.757 Intermediate Similarity NPC213528
0.757 Intermediate Similarity NPC244969
0.7549 Intermediate Similarity NPC474699
0.7523 Intermediate Similarity NPC306776
0.75 Intermediate Similarity NPC470191
0.7456 Intermediate Similarity NPC470115
0.7456 Intermediate Similarity NPC470116
0.7391 Intermediate Similarity NPC475490
0.7379 Intermediate Similarity NPC474065
0.7347 Intermediate Similarity NPC212340
0.7315 Intermediate Similarity NPC478181
0.7255 Intermediate Similarity NPC33398
0.7241 Intermediate Similarity NPC277583
0.72 Intermediate Similarity NPC473791
0.72 Intermediate Similarity NPC224623
0.7188 Intermediate Similarity NPC83108
0.7188 Intermediate Similarity NPC214030
0.7188 Intermediate Similarity NPC70996
0.7179 Intermediate Similarity NPC179429
0.7177 Intermediate Similarity NPC469351
0.717 Intermediate Similarity NPC215570
0.7157 Intermediate Similarity NPC314364
0.7155 Intermediate Similarity NPC79193
0.7143 Intermediate Similarity NPC472237
0.7143 Intermediate Similarity NPC203974
0.7143 Intermediate Similarity NPC472238
0.7117 Intermediate Similarity NPC88469
0.7097 Intermediate Similarity NPC13071
0.7043 Intermediate Similarity NPC473062
0.7037 Intermediate Similarity NPC58267
0.7037 Intermediate Similarity NPC263674
0.7037 Intermediate Similarity NPC74466
0.7037 Intermediate Similarity NPC470632
0.7037 Intermediate Similarity NPC261372
0.7018 Intermediate Similarity NPC228190
0.7018 Intermediate Similarity NPC236753
0.7016 Intermediate Similarity NPC172823
0.7009 Intermediate Similarity NPC21897
0.7008 Intermediate Similarity NPC475376
0.7008 Intermediate Similarity NPC470117
0.6972 Remote Similarity NPC253995
0.6972 Remote Similarity NPC292775
0.6967 Remote Similarity NPC186339
0.6953 Remote Similarity NPC256618
0.6953 Remote Similarity NPC219058
0.6944 Remote Similarity NPC475785
0.6944 Remote Similarity NPC475765
0.6944 Remote Similarity NPC476728
0.6939 Remote Similarity NPC475616
0.6935 Remote Similarity NPC11732
0.6931 Remote Similarity NPC474266
0.6923 Remote Similarity NPC97002
0.6911 Remote Similarity NPC144625
0.6903 Remote Similarity NPC127235
0.6903 Remote Similarity NPC215408
0.6881 Remote Similarity NPC471241
0.6881 Remote Similarity NPC472273
0.6875 Remote Similarity NPC125164
0.687 Remote Similarity NPC208333
0.687 Remote Similarity NPC227879
0.6863 Remote Similarity NPC291310
0.6847 Remote Similarity NPC259654
0.6847 Remote Similarity NPC67296
0.6847 Remote Similarity NPC178853
0.6847 Remote Similarity NPC298266
0.6847 Remote Similarity NPC216911
0.6842 Remote Similarity NPC148270
0.6842 Remote Similarity NPC197813
0.6842 Remote Similarity NPC80338
0.6832 Remote Similarity NPC475849
0.6829 Remote Similarity NPC1538
0.6827 Remote Similarity NPC51662
0.6827 Remote Similarity NPC475773
0.6822 Remote Similarity NPC35164
0.681 Remote Similarity NPC193741
0.681 Remote Similarity NPC475463
0.6796 Remote Similarity NPC478111
0.6789 Remote Similarity NPC145553
0.6789 Remote Similarity NPC474297
0.6783 Remote Similarity NPC92890
0.6783 Remote Similarity NPC202898
0.6783 Remote Similarity NPC472079
0.6783 Remote Similarity NPC475319
0.6771 Remote Similarity NPC248427
0.6759 Remote Similarity NPC470424
0.6759 Remote Similarity NPC217567
0.6759 Remote Similarity NPC76136
0.6759 Remote Similarity NPC329713
0.6757 Remote Similarity NPC476211
0.6757 Remote Similarity NPC476320
0.6754 Remote Similarity NPC170432
0.6752 Remote Similarity NPC474750
0.6752 Remote Similarity NPC469824
0.6748 Remote Similarity NPC192309
0.6735 Remote Similarity NPC279575
0.6733 Remote Similarity NPC216941
0.6729 Remote Similarity NPC475878
0.6729 Remote Similarity NPC235051
0.6727 Remote Similarity NPC304445
0.6727 Remote Similarity NPC471150
0.6727 Remote Similarity NPC236580
0.6726 Remote Similarity NPC37240
0.6726 Remote Similarity NPC329834
0.6726 Remote Similarity NPC473148
0.6726 Remote Similarity NPC471253
0.6724 Remote Similarity NPC92297
0.6724 Remote Similarity NPC220836
0.6724 Remote Similarity NPC233433
0.6724 Remote Similarity NPC473817
0.6724 Remote Similarity NPC94086
0.6724 Remote Similarity NPC273002
0.6719 Remote Similarity NPC42206
0.6701 Remote Similarity NPC215030
0.67 Remote Similarity NPC170595
0.6696 Remote Similarity NPC287539
0.6696 Remote Similarity NPC3488
0.6696 Remote Similarity NPC476230
0.6696 Remote Similarity NPC27474
0.6695 Remote Similarity NPC475851
0.6695 Remote Similarity NPC477489
0.6695 Remote Similarity NPC475924
0.6694 Remote Similarity NPC42747
0.6667 Remote Similarity NPC2757
0.6667 Remote Similarity NPC106760
0.6667 Remote Similarity NPC122083
0.6667 Remote Similarity NPC470167
0.6667 Remote Similarity NPC256104
0.6667 Remote Similarity NPC182740
0.6667 Remote Similarity NPC211845
0.6639 Remote Similarity NPC285086
0.6638 Remote Similarity NPC117604
0.6638 Remote Similarity NPC110701
0.6637 Remote Similarity NPC4899
0.6637 Remote Similarity NPC80144
0.6637 Remote Similarity NPC177013
0.6637 Remote Similarity NPC35185
0.6637 Remote Similarity NPC470172
0.6637 Remote Similarity NPC474730
0.6636 Remote Similarity NPC116683
0.6636 Remote Similarity NPC193785
0.6633 Remote Similarity NPC228411
0.6612 Remote Similarity NPC475238
0.6607 Remote Similarity NPC471381
0.6607 Remote Similarity NPC186861
0.6607 Remote Similarity NPC20028
0.6606 Remote Similarity NPC470423
0.6606 Remote Similarity NPC206878
0.6602 Remote Similarity NPC69953
0.66 Remote Similarity NPC470014
0.6593 Remote Similarity NPC471171
0.6587 Remote Similarity NPC273962
0.6581 Remote Similarity NPC187876
0.6579 Remote Similarity NPC473406
0.6579 Remote Similarity NPC34562
0.6579 Remote Similarity NPC107385
0.6579 Remote Similarity NPC329704
0.6579 Remote Similarity NPC475928
0.6574 Remote Similarity NPC469627
0.6571 Remote Similarity NPC92139
0.6555 Remote Similarity NPC471570
0.6549 Remote Similarity NPC476228
0.6549 Remote Similarity NPC471767

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC292803 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
0.9792 High Similarity NPD4056 Clinical (unspecified phase)
0.9792 High Similarity NPD4057 Clinical (unspecified phase)
0.7156 Intermediate Similarity NPD1700 Approved
0.6814 Remote Similarity NPD8170 Clinical (unspecified phase)
0.6406 Remote Similarity NPD7078 Approved
0.6406 Remote Similarity NPD8293 Discontinued
0.6357 Remote Similarity NPD7736 Approved
0.6349 Remote Similarity NPD6370 Approved
0.625 Remote Similarity NPD7492 Approved
0.6202 Remote Similarity NPD6616 Approved
0.619 Remote Similarity NPD6059 Approved
0.619 Remote Similarity NPD6054 Approved
0.6142 Remote Similarity NPD6016 Approved
0.6142 Remote Similarity NPD6015 Approved
0.6094 Remote Similarity NPD5988 Approved
0.6077 Remote Similarity NPD7507 Approved
0.6071 Remote Similarity NPD8171 Discontinued
0.6063 Remote Similarity NPD6319 Approved
0.5968 Remote Similarity NPD8133 Approved
0.5962 Remote Similarity NPD4802 Phase 2
0.5962 Remote Similarity NPD4238 Approved
0.5952 Remote Similarity NPD8295 Clinical (unspecified phase)
0.5952 Remote Similarity NPD6009 Approved
0.594 Remote Similarity NPD7319 Approved
0.5932 Remote Similarity NPD8085 Approved
0.5932 Remote Similarity NPD8083 Approved
0.5932 Remote Similarity NPD8082 Approved
0.5932 Remote Similarity NPD8086 Approved
0.5932 Remote Similarity NPD8084 Approved
0.5932 Remote Similarity NPD8138 Approved
0.5932 Remote Similarity NPD8139 Approved
0.5918 Remote Similarity NPD898 Approved
0.5918 Remote Similarity NPD897 Approved
0.5918 Remote Similarity NPD896 Approved
0.5887 Remote Similarity NPD6882 Approved
0.5882 Remote Similarity NPD8275 Approved
0.5882 Remote Similarity NPD8276 Approved
0.5868 Remote Similarity NPD6412 Phase 2
0.5868 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5833 Remote Similarity NPD8081 Approved
0.5825 Remote Similarity NPD3702 Approved
0.582 Remote Similarity NPD7320 Approved
0.5785 Remote Similarity NPD8393 Approved
0.5773 Remote Similarity NPD7909 Approved
0.5772 Remote Similarity NPD6372 Approved
0.5772 Remote Similarity NPD6373 Approved
0.576 Remote Similarity NPD8297 Approved
0.5755 Remote Similarity NPD7329 Approved
0.5746 Remote Similarity NPD6033 Approved
0.5741 Remote Similarity NPD6435 Approved
0.5714 Remote Similarity NPD4632 Approved
0.57 Remote Similarity NPD229 Approved
0.5691 Remote Similarity NPD6686 Approved
0.5688 Remote Similarity NPD3669 Approved
0.5688 Remote Similarity NPD3670 Clinical (unspecified phase)
0.5684 Remote Similarity NPD3198 Approved
0.5682 Remote Similarity NPD8328 Phase 3
0.568 Remote Similarity NPD6650 Approved
0.568 Remote Similarity NPD6649 Approved
0.5656 Remote Similarity NPD7128 Approved
0.5656 Remote Similarity NPD6402 Approved
0.5656 Remote Similarity NPD5739 Approved
0.5656 Remote Similarity NPD6675 Approved
0.5648 Remote Similarity NPD1779 Approved
0.5648 Remote Similarity NPD1780 Approved
0.5645 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5625 Remote Similarity NPD6940 Discontinued
0.561 Remote Similarity NPD8140 Approved
0.561 Remote Similarity NPD8307 Discontinued
0.561 Remote Similarity NPD5697 Approved
0.561 Remote Similarity NPD5701 Approved

Structure

External Identifiers

PubChem CID   71450923
ChEMBL   CHEMBL2113267
ZINC  

Physicochemical Properties

Molecular Weight:  424.14
ALogP:  -1.6453
MLogP:  2.56
XLogP:  -0.185
# Rotatable Bonds:  8
Polar Surface Area:  148.82
# H-Bond Aceptor:  10
# H-Bond Donor:  3
# Rings:  6
# Heavy Atoms:  30

Download Data

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Similar NPs/Drugs