Natural Product: NPC290802

Natural Product ID:  NPC290802
Common Name:   Longipedlactone A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H38O5
Standard InCHIKey:  HPMBMZUDXWXFOU-QSISBBOKSA-N
Standard InCHI:  InChI=1S/C30H38O5/c1-17-7-10-24(34-27(17)32)19(3)21-13-14-29(6)23(18(21)2)16-30(33)15-20-8-12-26(31)35-28(4,5)22(20)9-11-25(29)30/h7-8,12-13,15,19,22-25,33H,2,9-11,14,16H2,1,3-6H3/t19-,22-,23+,24-,25+,29-,30-/m1/s1
Canonical SMILES:  O=C1C=CC2=C[C@@]3(O)C[C@@H]4[C@@]([C@@H]3CC[C@H]2C(O1)(C)C)(C)CC=C(C4=C)[C@H]([C@H]1CC=C(C(=O)O1)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
NPO27599 Kadsura ananosma Species Schisandraceae Eukaryota Stems PMID[20025236]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT659 Cell Line SMMC-7721 Homo sapiens IC50 > 10000 nM 21353775
NPT116 Cell Line HL-60 Homo sapiens IC50 = 3500 nM 16124773
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 10514299
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 > 10000 nM 18809939
NPT461 Cell Line PANC-1 Homo sapiens IC50 > 10000 nM 18809939

  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 NPC290802 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
0.9684 High Similarity NPC183570
0.9684 High Similarity NPC280566
0.9381 High Similarity NPC272632
0.9368 High Similarity NPC227865
0.9247 High Similarity NPC166143
0.9247 High Similarity NPC120351
0.9247 High Similarity NPC471994
0.92 High Similarity NPC475274
0.9109 High Similarity NPC181298
0.9072 High Similarity NPC298233
0.902 High Similarity NPC255401
0.902 High Similarity NPC262083
0.902 High Similarity NPC284162
0.902 High Similarity NPC471484
0.8958 High Similarity NPC202705
0.8922 High Similarity NPC238850
0.8738 High Similarity NPC15551
0.8654 High Similarity NPC71680
0.8571 High Similarity NPC241477
0.8416 Intermediate Similarity NPC471993
0.8155 Intermediate Similarity NPC297617
0.8137 Intermediate Similarity NPC99411
0.8073 Intermediate Similarity NPC216665
0.8073 Intermediate Similarity NPC43213
0.8041 Intermediate Similarity NPC177141
0.802 Intermediate Similarity NPC141401
0.8019 Intermediate Similarity NPC220155
0.7981 Intermediate Similarity NPC171014
0.7981 Intermediate Similarity NPC85742
0.7961 Intermediate Similarity NPC146822
0.7959 Intermediate Similarity NPC273199
0.7944 Intermediate Similarity NPC75389
0.7944 Intermediate Similarity NPC137911
0.7944 Intermediate Similarity NPC228477
0.7941 Intermediate Similarity NPC166745
0.7941 Intermediate Similarity NPC235464
0.7941 Intermediate Similarity NPC98868
0.7925 Intermediate Similarity NPC43063
0.7925 Intermediate Similarity NPC79298
0.7921 Intermediate Similarity NPC190713
0.7905 Intermediate Similarity NPC309190
0.789 Intermediate Similarity NPC191620
0.7885 Intermediate Similarity NPC475320
0.7879 Intermediate Similarity NPC177641
0.787 Intermediate Similarity NPC16270
0.785 Intermediate Similarity NPC275060
0.7843 Intermediate Similarity NPC99726
0.7835 Intermediate Similarity NPC45957
0.7835 Intermediate Similarity NPC471657
0.783 Intermediate Similarity NPC295843
0.7822 Intermediate Similarity NPC171395
0.7822 Intermediate Similarity NPC20546
0.7822 Intermediate Similarity NPC281134
0.78 Intermediate Similarity NPC38232
0.78 Intermediate Similarity NPC214697
0.7798 Intermediate Similarity NPC474315
0.7778 Intermediate Similarity NPC182136
0.7767 Intermediate Similarity NPC65700
0.7767 Intermediate Similarity NPC92275
0.7767 Intermediate Similarity NPC64742
0.7767 Intermediate Similarity NPC181147
0.7757 Intermediate Similarity NPC472263
0.7757 Intermediate Similarity NPC469959
0.7757 Intermediate Similarity NPC469957
0.7757 Intermediate Similarity NPC91034
0.7757 Intermediate Similarity NPC108682
0.7745 Intermediate Similarity NPC9812
0.7736 Intermediate Similarity NPC200861
0.7736 Intermediate Similarity NPC472868
0.7727 Intermediate Similarity NPC44537
0.7723 Intermediate Similarity NPC7165
0.7723 Intermediate Similarity NPC469491
0.7706 Intermediate Similarity NPC37116
0.7706 Intermediate Similarity NPC103491
0.77 Intermediate Similarity NPC45269
0.77 Intermediate Similarity NPC212948
0.7692 Intermediate Similarity NPC241221
0.7685 Intermediate Similarity NPC137462
0.7685 Intermediate Similarity NPC304276
0.7677 Intermediate Similarity NPC146554
0.767 Intermediate Similarity NPC469432
0.7664 Intermediate Similarity NPC93026
0.7664 Intermediate Similarity NPC265502
0.7664 Intermediate Similarity NPC29389
0.7664 Intermediate Similarity NPC469960
0.7647 Intermediate Similarity NPC33473
0.7647 Intermediate Similarity NPC293052
0.7636 Intermediate Similarity NPC470076
0.7636 Intermediate Similarity NPC470961
0.7624 Intermediate Similarity NPC205034
0.7624 Intermediate Similarity NPC152778
0.7624 Intermediate Similarity NPC162615
0.7619 Intermediate Similarity NPC244456
0.7619 Intermediate Similarity NPC116139
0.7619 Intermediate Similarity NPC206079
0.7619 Intermediate Similarity NPC469657
0.7615 Intermediate Similarity NPC47951
0.7609 Intermediate Similarity NPC476317
0.7604 Intermediate Similarity NPC474809
0.76 Intermediate Similarity NPC469372
0.76 Intermediate Similarity NPC310479
0.7596 Intermediate Similarity NPC218107
0.7596 Intermediate Similarity NPC244411
0.7596 Intermediate Similarity NPC197386
0.7596 Intermediate Similarity NPC57079
0.7596 Intermediate Similarity NPC108368
0.7593 Intermediate Similarity NPC475294
0.7593 Intermediate Similarity NPC476958
0.7589 Intermediate Similarity NPC305044
0.7589 Intermediate Similarity NPC265290
0.7576 Intermediate Similarity NPC60765
0.7576 Intermediate Similarity NPC473879
0.7573 Intermediate Similarity NPC473153
0.7573 Intermediate Similarity NPC16967
0.757 Intermediate Similarity NPC165969
0.757 Intermediate Similarity NPC472822
0.7568 Intermediate Similarity NPC100267
0.7568 Intermediate Similarity NPC236217
0.7568 Intermediate Similarity NPC475524
0.7568 Intermediate Similarity NPC221144
0.7551 Intermediate Similarity NPC477668
0.7549 Intermediate Similarity NPC104925
0.7549 Intermediate Similarity NPC298973
0.7549 Intermediate Similarity NPC119562
0.7549 Intermediate Similarity NPC53685
0.7549 Intermediate Similarity NPC279410
0.7547 Intermediate Similarity NPC114540
0.7547 Intermediate Similarity NPC66110
0.7547 Intermediate Similarity NPC155332
0.7547 Intermediate Similarity NPC32577
0.7545 Intermediate Similarity NPC12795
0.7545 Intermediate Similarity NPC473627
0.7545 Intermediate Similarity NPC29133
0.7527 Intermediate Similarity NPC476439
0.7525 Intermediate Similarity NPC474018
0.7525 Intermediate Similarity NPC234335
0.7525 Intermediate Similarity NPC303697
0.7525 Intermediate Similarity NPC204341
0.7525 Intermediate Similarity NPC473986
0.7524 Intermediate Similarity NPC266955
0.7524 Intermediate Similarity NPC98813
0.7524 Intermediate Similarity NPC13743
0.7522 Intermediate Similarity NPC148458
0.7522 Intermediate Similarity NPC470075
0.7522 Intermediate Similarity NPC190286
0.75 Intermediate Similarity NPC107243
0.75 Intermediate Similarity NPC472240
0.75 Intermediate Similarity NPC231751
0.75 Intermediate Similarity NPC266570
0.75 Intermediate Similarity NPC262858
0.75 Intermediate Similarity NPC241977
0.75 Intermediate Similarity NPC73050
0.75 Intermediate Similarity NPC101965
0.75 Intermediate Similarity NPC189863
0.75 Intermediate Similarity NPC210216
0.75 Intermediate Similarity NPC171126
0.75 Intermediate Similarity NPC122056
0.75 Intermediate Similarity NPC208094
0.75 Intermediate Similarity NPC473647
0.75 Intermediate Similarity NPC101400
0.7478 Intermediate Similarity NPC270850
0.7478 Intermediate Similarity NPC264954
0.7478 Intermediate Similarity NPC305260
0.7477 Intermediate Similarity NPC475526
0.7477 Intermediate Similarity NPC473283
0.7477 Intermediate Similarity NPC329345
0.7477 Intermediate Similarity NPC23584
0.7477 Intermediate Similarity NPC183603
0.7477 Intermediate Similarity NPC72151
0.7476 Intermediate Similarity NPC474909
0.7476 Intermediate Similarity NPC295347
0.7475 Intermediate Similarity NPC131329
0.7475 Intermediate Similarity NPC128644
0.7475 Intermediate Similarity NPC312561
0.7456 Intermediate Similarity NPC476959
0.7456 Intermediate Similarity NPC157380
0.7456 Intermediate Similarity NPC185287
0.7453 Intermediate Similarity NPC115899
0.7453 Intermediate Similarity NPC62670
0.7453 Intermediate Similarity NPC310981
0.7453 Intermediate Similarity NPC268829
0.7453 Intermediate Similarity NPC476223
0.7453 Intermediate Similarity NPC222875
0.7453 Intermediate Similarity NPC476240
0.7453 Intermediate Similarity NPC224720
0.7453 Intermediate Similarity NPC247701
0.7453 Intermediate Similarity NPC295110
0.7453 Intermediate Similarity NPC25177
0.7451 Intermediate Similarity NPC472871
0.7451 Intermediate Similarity NPC472954
0.7449 Intermediate Similarity NPC109528
0.7449 Intermediate Similarity NPC471795
0.7449 Intermediate Similarity NPC471185
0.7434 Intermediate Similarity NPC147912
0.7434 Intermediate Similarity NPC82759
0.7434 Intermediate Similarity NPC474181
0.7434 Intermediate Similarity NPC67259
0.7429 Intermediate Similarity NPC222011
0.7426 Intermediate Similarity NPC46281
0.7426 Intermediate Similarity NPC212679

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC290802 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
0.75 Intermediate Similarity NPD6051 Approved
0.7426 Intermediate Similarity NPD5785 Approved
0.7358 Intermediate Similarity NPD7640 Approved
0.7358 Intermediate Similarity NPD7639 Approved
0.7304 Intermediate Similarity NPD7115 Discovery
0.7264 Intermediate Similarity NPD7638 Approved
0.7257 Intermediate Similarity NPD6053 Discontinued
0.7203 Intermediate Similarity NPD7503 Approved
0.7184 Intermediate Similarity NPD5284 Approved
0.7184 Intermediate Similarity NPD5281 Approved
0.7184 Intermediate Similarity NPD7637 Suspended
0.717 Intermediate Similarity NPD6083 Phase 2
0.717 Intermediate Similarity NPD6084 Phase 2
0.7143 Intermediate Similarity NPD5695 Phase 3
0.708 Intermediate Similarity NPD6371 Approved
0.7071 Intermediate Similarity NPD5362 Discontinued
0.7054 Intermediate Similarity NPD6899 Approved
0.7054 Intermediate Similarity NPD6881 Approved
0.703 Intermediate Similarity NPD7146 Approved
0.703 Intermediate Similarity NPD7521 Approved
0.703 Intermediate Similarity NPD7334 Approved
0.703 Intermediate Similarity NPD5330 Approved
0.703 Intermediate Similarity NPD6684 Approved
0.703 Intermediate Similarity NPD6409 Approved
0.7019 Intermediate Similarity NPD5693 Phase 1
0.7019 Intermediate Similarity NPD6050 Approved
0.7019 Intermediate Similarity NPD5694 Approved
0.701 Intermediate Similarity NPD4195 Approved
0.7 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.6964 Remote Similarity NPD5697 Approved
0.6952 Remote Similarity NPD6399 Phase 3
0.6944 Remote Similarity NPD5696 Approved
0.6944 Remote Similarity NPD4225 Approved
0.6939 Remote Similarity NPD4819 Approved
0.6939 Remote Similarity NPD4822 Approved
0.6939 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6939 Remote Similarity NPD4821 Approved
0.6939 Remote Similarity NPD4820 Approved
0.6931 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6931 Remote Similarity NPD5363 Approved
0.693 Remote Similarity NPD7290 Approved
0.693 Remote Similarity NPD6883 Approved
0.693 Remote Similarity NPD7102 Approved
0.6923 Remote Similarity NPD5207 Approved
0.6923 Remote Similarity NPD5692 Phase 3
0.6903 Remote Similarity NPD6011 Approved
0.69 Remote Similarity NPD5332 Approved
0.69 Remote Similarity NPD5331 Approved
0.69 Remote Similarity NPD6695 Phase 3
0.6893 Remote Similarity NPD6903 Approved
0.6893 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6875 Remote Similarity NPD7128 Approved
0.6875 Remote Similarity NPD6675 Approved
0.6875 Remote Similarity NPD6402 Approved
0.6875 Remote Similarity NPD5739 Approved
0.687 Remote Similarity NPD6869 Approved
0.687 Remote Similarity NPD6847 Approved
0.687 Remote Similarity NPD6650 Approved
0.687 Remote Similarity NPD8130 Phase 1
0.687 Remote Similarity NPD6649 Approved
0.687 Remote Similarity NPD6617 Approved
0.6869 Remote Similarity NPD4790 Discontinued
0.6842 Remote Similarity NPD6012 Approved
0.6842 Remote Similarity NPD6013 Approved
0.6842 Remote Similarity NPD6014 Approved
0.6832 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6827 Remote Similarity NPD6673 Approved
0.6827 Remote Similarity NPD6904 Approved
0.6827 Remote Similarity NPD6080 Approved
0.681 Remote Similarity NPD8297 Approved
0.681 Remote Similarity NPD6882 Approved
0.68 Remote Similarity NPD5209 Approved
0.68 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6789 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6765 Remote Similarity NPD1694 Approved
0.6762 Remote Similarity NPD7838 Discovery
0.6757 Remote Similarity NPD5211 Phase 2
0.6757 Remote Similarity NPD7632 Discontinued
0.6754 Remote Similarity NPD7320 Approved
0.6735 Remote Similarity NPD4271 Approved
0.6735 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6735 Remote Similarity NPD4268 Approved
0.6731 Remote Similarity NPD5737 Approved
0.6731 Remote Similarity NPD6672 Approved
0.6699 Remote Similarity NPD4694 Approved
0.6699 Remote Similarity NPD5280 Approved
0.6699 Remote Similarity NPD5690 Phase 2
0.6696 Remote Similarity NPD6373 Approved
0.6696 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD6924 Approved
0.6667 Remote Similarity NPD4753 Phase 2
0.6667 Remote Similarity NPD3133 Approved
0.6667 Remote Similarity NPD4785 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD4784 Approved
0.6667 Remote Similarity NPD3666 Approved
0.6667 Remote Similarity NPD6926 Approved
0.6667 Remote Similarity NPD5701 Approved
0.6667 Remote Similarity NPD3665 Phase 1
0.6667 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5210 Approved
0.6637 Remote Similarity NPD5141 Approved
0.6636 Remote Similarity NPD5779 Approved
0.6636 Remote Similarity NPD5778 Approved
0.6635 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7524 Approved
0.6635 Remote Similarity NPD7750 Discontinued
0.6634 Remote Similarity NPD4270 Approved
0.6634 Remote Similarity NPD4269 Approved
0.6634 Remote Similarity NPD4221 Approved
0.6634 Remote Similarity NPD4223 Phase 3
0.6602 Remote Similarity NPD5329 Approved
0.66 Remote Similarity NPD6931 Approved
0.66 Remote Similarity NPD7514 Phase 3
0.66 Remote Similarity NPD6930 Phase 2
0.6581 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5285 Approved
0.6577 Remote Similarity NPD5286 Approved
0.6577 Remote Similarity NPD4696 Approved
0.6577 Remote Similarity NPD6404 Discontinued
0.6577 Remote Similarity NPD6648 Approved
0.6571 Remote Similarity NPD5208 Approved
0.6571 Remote Similarity NPD4518 Approved
0.6569 Remote Similarity NPD7154 Phase 3
0.6566 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6542 Remote Similarity NPD6411 Approved
0.6542 Remote Similarity NPD6079 Approved
0.6538 Remote Similarity NPD6098 Approved
0.6538 Remote Similarity NPD5786 Approved
0.6538 Remote Similarity NPD5279 Phase 3
0.6535 Remote Similarity NPD5369 Approved
0.6531 Remote Similarity NPD6933 Approved
0.6531 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6529 Remote Similarity NPD7327 Approved
0.6529 Remote Similarity NPD6335 Approved
0.6529 Remote Similarity NPD7328 Approved
0.6522 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6518 Remote Similarity NPD5223 Approved
0.6514 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6514 Remote Similarity NPD5654 Approved
0.6505 Remote Similarity NPD4197 Approved
0.6505 Remote Similarity NPD4786 Approved
0.6504 Remote Similarity NPD8033 Approved
0.65 Remote Similarity NPD6929 Approved
0.6481 Remote Similarity NPD4202 Approved
0.6476 Remote Similarity NPD4250 Approved
0.6476 Remote Similarity NPD4251 Approved
0.6475 Remote Similarity NPD7100 Approved
0.6475 Remote Similarity NPD7516 Approved
0.6475 Remote Similarity NPD7101 Approved
0.6471 Remote Similarity NPD4632 Approved
0.646 Remote Similarity NPD4633 Approved
0.646 Remote Similarity NPD5224 Approved
0.646 Remote Similarity NPD5225 Approved
0.646 Remote Similarity NPD5226 Approved
0.6458 Remote Similarity NPD4243 Approved
0.6446 Remote Similarity NPD6317 Approved
0.6436 Remote Similarity NPD7332 Phase 2
0.6436 Remote Similarity NPD4252 Approved
0.6435 Remote Similarity NPD6008 Approved
0.6429 Remote Similarity NPD8039 Approved
0.6429 Remote Similarity NPD6942 Approved
0.6429 Remote Similarity NPD8264 Approved
0.6429 Remote Similarity NPD7339 Approved
0.6423 Remote Similarity NPD8294 Approved
0.6423 Remote Similarity NPD8377 Approved
0.6422 Remote Similarity NPD7748 Approved
0.6404 Remote Similarity NPD5175 Approved
0.6404 Remote Similarity NPD5174 Approved
0.64 Remote Similarity NPD7145 Approved
0.6396 Remote Similarity NPD4755 Approved
0.6396 Remote Similarity NPD5959 Approved
0.6393 Remote Similarity NPD6313 Approved
0.6393 Remote Similarity NPD6314 Approved
0.6389 Remote Similarity NPD7087 Discontinued
0.6381 Remote Similarity NPD4138 Approved
0.6381 Remote Similarity NPD4688 Approved
0.6381 Remote Similarity NPD4693 Phase 3
0.6381 Remote Similarity NPD4690 Approved
0.6381 Remote Similarity NPD5205 Approved
0.6381 Remote Similarity NPD4689 Approved
0.6381 Remote Similarity NPD4249 Approved
0.6373 Remote Similarity NPD6902 Approved
0.6372 Remote Similarity NPD5344 Discontinued
0.6371 Remote Similarity NPD8379 Approved
0.6371 Remote Similarity NPD8296 Approved
0.6371 Remote Similarity NPD8378 Approved
0.6371 Remote Similarity NPD8380 Approved
0.6371 Remote Similarity NPD8335 Approved
0.6364 Remote Similarity NPD6274 Approved
0.6355 Remote Similarity NPD5328 Approved
0.6355 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6355 Remote Similarity NPD6101 Approved
0.6354 Remote Similarity NPD7143 Approved
0.6354 Remote Similarity NPD7144 Approved
0.6325 Remote Similarity NPD6686 Approved
0.6311 Remote Similarity NPD3667 Approved
0.6311 Remote Similarity NPD6435 Approved
0.6311 Remote Similarity NPD6009 Approved
0.6308 Remote Similarity NPD7260 Phase 2

Structure

External Identifiers

PubChem CID   11605382
ChEMBL   CHEMBL1086794
ZINC  

Physicochemical Properties

Molecular Weight:  478.27
ALogP:  3.3044
MLogP:  4.21
XLogP:  4.481
# Rotatable Bonds:  8
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs