Natural Product: NPC183570

Natural Product ID:  NPC183570
Common Name:   Longipedlactone F
IUPAC Name:  
Synonyms:   Longipedlactone F
Molecular Formula:   C30H38O6
Standard InCHIKey:  SJCQJLRZUFTNFT-IHRMUONJSA-N
Standard InCHI:  InChI=1S/C30H38O6/c1-16-7-9-23(35-27(16)33)18(3)20-11-12-29(6)21(17(20)2)15-30(34)14-19-8-10-25(32)36-28(4,5)26(19)22(31)13-24(29)30/h7-8,10-11,14,18,21-24,26,31,34H,2,9,12-13,15H2,1,3-6H3/t18-,21+,22-,23-,24+,26+,29-,30-/m1/s1
Canonical SMILES:  O=C1C=CC2=C[C@@]3(O)C[C@@H]4[C@@]([C@@H]3C[C@H]([C@H]2C(O1)(C)C)O)(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 23398362
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 21377877
NPT116 Cell Line HL-60 Homo sapiens IC50 = 2300 nM 16124773
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 = 7400 nM 18809939
NPT461 Cell Line PANC-1 Homo sapiens IC50 = 8800 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 NPC183570 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 NPC280566
0.9684 High Similarity NPC290802
0.949 High Similarity NPC272632
0.9479 High Similarity NPC227865
0.9126 High Similarity NPC284162
0.9126 High Similarity NPC255401
0.9029 High Similarity NPC181298
0.9029 High Similarity NPC238850
0.8958 High Similarity NPC471994
0.8958 High Similarity NPC120351
0.8958 High Similarity NPC166143
0.8942 High Similarity NPC71680
0.8942 High Similarity NPC471484
0.8942 High Similarity NPC262083
0.8932 High Similarity NPC475274
0.8846 High Similarity NPC15551
0.88 High Similarity NPC298233
0.8687 High Similarity NPC202705
0.8679 High Similarity NPC241477
0.8349 Intermediate Similarity NPC216665
0.8269 Intermediate Similarity NPC297617
0.8224 Intermediate Similarity NPC75389
0.819 Intermediate Similarity NPC309190
0.8182 Intermediate Similarity NPC43213
0.8173 Intermediate Similarity NPC471993
0.8131 Intermediate Similarity NPC220155
0.8131 Intermediate Similarity NPC275060
0.8058 Intermediate Similarity NPC65700
0.8056 Intermediate Similarity NPC137911
0.8056 Intermediate Similarity NPC228477
0.8037 Intermediate Similarity NPC108682
0.8037 Intermediate Similarity NPC469959
0.8037 Intermediate Similarity NPC472263
0.8037 Intermediate Similarity NPC469957
0.8 Intermediate Similarity NPC191620
0.8 Intermediate Similarity NPC44537
0.7961 Intermediate Similarity NPC141401
0.7944 Intermediate Similarity NPC469960
0.7944 Intermediate Similarity NPC29389
0.7944 Intermediate Similarity NPC295843
0.7944 Intermediate Similarity NPC265502
0.7944 Intermediate Similarity NPC93026
0.7941 Intermediate Similarity NPC20546
0.7925 Intermediate Similarity NPC171014
0.7909 Intermediate Similarity NPC474315
0.7909 Intermediate Similarity NPC470076
0.7905 Intermediate Similarity NPC99411
0.7905 Intermediate Similarity NPC244456
0.7905 Intermediate Similarity NPC146822
0.7905 Intermediate Similarity NPC469657
0.7885 Intermediate Similarity NPC235464
0.7885 Intermediate Similarity NPC64742
0.7885 Intermediate Similarity NPC166745
0.787 Intermediate Similarity NPC91034
0.787 Intermediate Similarity NPC43063
0.787 Intermediate Similarity NPC79298
0.7864 Intermediate Similarity NPC190713
0.7857 Intermediate Similarity NPC305044
0.7857 Intermediate Similarity NPC265290
0.7843 Intermediate Similarity NPC7165
0.7843 Intermediate Similarity NPC469491
0.783 Intermediate Similarity NPC475320
0.7822 Intermediate Similarity NPC45269
0.7818 Intermediate Similarity NPC12795
0.78 Intermediate Similarity NPC177141
0.7798 Intermediate Similarity NPC304276
0.7798 Intermediate Similarity NPC137462
0.7788 Intermediate Similarity NPC469432
0.7788 Intermediate Similarity NPC470075
0.7788 Intermediate Similarity NPC99726
0.7768 Intermediate Similarity NPC171126
0.7768 Intermediate Similarity NPC101965
0.7768 Intermediate Similarity NPC101400
0.7768 Intermediate Similarity NPC241977
0.7757 Intermediate Similarity NPC85742
0.7748 Intermediate Similarity NPC470961
0.7745 Intermediate Similarity NPC205034
0.7745 Intermediate Similarity NPC214697
0.7745 Intermediate Similarity NPC162615
0.7745 Intermediate Similarity NPC152778
0.7732 Intermediate Similarity NPC474809
0.7727 Intermediate Similarity NPC47951
0.7723 Intermediate Similarity NPC182136
0.7723 Intermediate Similarity NPC273199
0.7719 Intermediate Similarity NPC157380
0.7719 Intermediate Similarity NPC185287
0.7714 Intermediate Similarity NPC92275
0.7714 Intermediate Similarity NPC181147
0.7714 Intermediate Similarity NPC98868
0.77 Intermediate Similarity NPC60765
0.7692 Intermediate Similarity NPC9812
0.7692 Intermediate Similarity NPC16967
0.7685 Intermediate Similarity NPC200861
0.7685 Intermediate Similarity NPC472822
0.7679 Intermediate Similarity NPC100267
0.7679 Intermediate Similarity NPC313921
0.7679 Intermediate Similarity NPC98038
0.7679 Intermediate Similarity NPC236217
0.7679 Intermediate Similarity NPC76550
0.7679 Intermediate Similarity NPC475524
0.7679 Intermediate Similarity NPC123855
0.7679 Intermediate Similarity NPC138757
0.7679 Intermediate Similarity NPC221144
0.7677 Intermediate Similarity NPC477668
0.7672 Intermediate Similarity NPC474370
0.767 Intermediate Similarity NPC298973
0.767 Intermediate Similarity NPC104925
0.7664 Intermediate Similarity NPC114540
0.7664 Intermediate Similarity NPC32577
0.7664 Intermediate Similarity NPC155332
0.7658 Intermediate Similarity NPC103491
0.7658 Intermediate Similarity NPC16270
0.7658 Intermediate Similarity NPC29133
0.7658 Intermediate Similarity NPC37116
0.7652 Intermediate Similarity NPC16701
0.7647 Intermediate Similarity NPC177641
0.7647 Intermediate Similarity NPC212948
0.7642 Intermediate Similarity NPC13743
0.7642 Intermediate Similarity NPC98813
0.7642 Intermediate Similarity NPC79631
0.7642 Intermediate Similarity NPC241221
0.7632 Intermediate Similarity NPC148458
0.7624 Intermediate Similarity NPC257485
0.7624 Intermediate Similarity NPC473647
0.7624 Intermediate Similarity NPC146554
0.7619 Intermediate Similarity NPC107243
0.7615 Intermediate Similarity NPC266570
0.7615 Intermediate Similarity NPC220217
0.7615 Intermediate Similarity NPC119855
0.7611 Intermediate Similarity NPC122056
0.7611 Intermediate Similarity NPC106395
0.7611 Intermediate Similarity NPC46269
0.7607 Intermediate Similarity NPC46570
0.76 Intermediate Similarity NPC45957
0.76 Intermediate Similarity NPC471657
0.7596 Intermediate Similarity NPC171395
0.7596 Intermediate Similarity NPC281134
0.7586 Intermediate Similarity NPC270850
0.7586 Intermediate Similarity NPC35171
0.7586 Intermediate Similarity NPC264954
0.7586 Intermediate Similarity NPC305260
0.7586 Intermediate Similarity NPC213761
0.7586 Intermediate Similarity NPC278681
0.7576 Intermediate Similarity NPC471795
0.7576 Intermediate Similarity NPC471185
0.7573 Intermediate Similarity NPC38232
0.7573 Intermediate Similarity NPC472954
0.757 Intermediate Similarity NPC476223
0.757 Intermediate Similarity NPC224720
0.757 Intermediate Similarity NPC476240
0.757 Intermediate Similarity NPC115899
0.757 Intermediate Similarity NPC206079
0.757 Intermediate Similarity NPC116139
0.7565 Intermediate Similarity NPC476959
0.7551 Intermediate Similarity NPC44261
0.7549 Intermediate Similarity NPC310479
0.7549 Intermediate Similarity NPC123854
0.7549 Intermediate Similarity NPC469403
0.7549 Intermediate Similarity NPC46281
0.7549 Intermediate Similarity NPC78973
0.7547 Intermediate Similarity NPC57079
0.7547 Intermediate Similarity NPC108368
0.7547 Intermediate Similarity NPC218107
0.7547 Intermediate Similarity NPC222011
0.7547 Intermediate Similarity NPC244411
0.7547 Intermediate Similarity NPC197386
0.7545 Intermediate Similarity NPC476958
0.7545 Intermediate Similarity NPC475294
0.7544 Intermediate Similarity NPC67290
0.7544 Intermediate Similarity NPC147912
0.7544 Intermediate Similarity NPC67259
0.7544 Intermediate Similarity NPC138303
0.7544 Intermediate Similarity NPC133677
0.7542 Intermediate Similarity NPC107493
0.7542 Intermediate Similarity NPC153700
0.7542 Intermediate Similarity NPC88326
0.7525 Intermediate Similarity NPC48866
0.7525 Intermediate Similarity NPC247406
0.7524 Intermediate Similarity NPC155676
0.7524 Intermediate Similarity NPC473153
0.7523 Intermediate Similarity NPC473577
0.7523 Intermediate Similarity NPC472868
0.7523 Intermediate Similarity NPC475585
0.7523 Intermediate Similarity NPC474550
0.7521 Intermediate Similarity NPC114939
0.7521 Intermediate Similarity NPC79579
0.7521 Intermediate Similarity NPC112936
0.7521 Intermediate Similarity NPC145074
0.7521 Intermediate Similarity NPC41123
0.75 Intermediate Similarity NPC279410
0.75 Intermediate Similarity NPC191521
0.75 Intermediate Similarity NPC66110
0.75 Intermediate Similarity NPC235369
0.75 Intermediate Similarity NPC288679
0.75 Intermediate Similarity NPC709
0.75 Intermediate Similarity NPC153440
0.75 Intermediate Similarity NPC53685
0.75 Intermediate Similarity NPC50774
0.75 Intermediate Similarity NPC469697
0.75 Intermediate Similarity NPC119562

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC183570 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
0.7522 Intermediate Similarity NPD6053 Discontinued
0.7458 Intermediate Similarity NPD7503 Approved
0.7414 Intermediate Similarity NPD7115 Discovery
0.7379 Intermediate Similarity NPD5785 Approved
0.7345 Intermediate Similarity NPD6371 Approved
0.7321 Intermediate Similarity NPD6899 Approved
0.7321 Intermediate Similarity NPD6881 Approved
0.7315 Intermediate Similarity NPD7640 Approved
0.7315 Intermediate Similarity NPD7639 Approved
0.7308 Intermediate Similarity NPD7637 Suspended
0.729 Intermediate Similarity NPD6084 Phase 2
0.729 Intermediate Similarity NPD6083 Phase 2
0.7282 Intermediate Similarity NPD6051 Approved
0.7245 Intermediate Similarity NPD4821 Approved
0.7245 Intermediate Similarity NPD4820 Approved
0.7245 Intermediate Similarity NPD4822 Approved
0.7245 Intermediate Similarity NPD4819 Approved
0.7245 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD5697 Approved
0.7222 Intermediate Similarity NPD7638 Approved
0.7193 Intermediate Similarity NPD7290 Approved
0.7193 Intermediate Similarity NPD7102 Approved
0.7193 Intermediate Similarity NPD6883 Approved
0.7143 Intermediate Similarity NPD6402 Approved
0.7143 Intermediate Similarity NPD7128 Approved
0.7143 Intermediate Similarity NPD5281 Approved
0.7143 Intermediate Similarity NPD5739 Approved
0.7143 Intermediate Similarity NPD5284 Approved
0.7143 Intermediate Similarity NPD6675 Approved
0.713 Intermediate Similarity NPD6617 Approved
0.713 Intermediate Similarity NPD8130 Phase 1
0.713 Intermediate Similarity NPD6650 Approved
0.713 Intermediate Similarity NPD6869 Approved
0.713 Intermediate Similarity NPD6649 Approved
0.713 Intermediate Similarity NPD6847 Approved
0.7129 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD6013 Approved
0.7105 Intermediate Similarity NPD6014 Approved
0.7105 Intermediate Similarity NPD6012 Approved
0.7103 Intermediate Similarity NPD5695 Phase 3
0.7069 Intermediate Similarity NPD8297 Approved
0.7069 Intermediate Similarity NPD6882 Approved
0.7064 Intermediate Similarity NPD4225 Approved
0.7059 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7838 Discovery
0.7041 Intermediate Similarity NPD4268 Approved
0.7041 Intermediate Similarity NPD4271 Approved
0.703 Intermediate Similarity NPD5362 Discontinued
0.703 Intermediate Similarity NPD6695 Phase 3
0.7027 Intermediate Similarity NPD5211 Phase 2
0.7018 Intermediate Similarity NPD6011 Approved
0.7018 Intermediate Similarity NPD7320 Approved
0.6957 Remote Similarity NPD6372 Approved
0.6957 Remote Similarity NPD6373 Approved
0.693 Remote Similarity NPD5701 Approved
0.6916 Remote Similarity NPD6399 Phase 3
0.6909 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6909 Remote Similarity NPD5696 Approved
0.6903 Remote Similarity NPD5141 Approved
0.6893 Remote Similarity NPD5363 Approved
0.6863 Remote Similarity NPD5332 Approved
0.6863 Remote Similarity NPD5331 Approved
0.6847 Remote Similarity NPD5286 Approved
0.6847 Remote Similarity NPD4696 Approved
0.6847 Remote Similarity NPD5285 Approved
0.6832 Remote Similarity NPD4790 Discontinued
0.6827 Remote Similarity NPD7334 Approved
0.6827 Remote Similarity NPD7146 Approved
0.6827 Remote Similarity NPD6409 Approved
0.6827 Remote Similarity NPD6684 Approved
0.6827 Remote Similarity NPD7521 Approved
0.6827 Remote Similarity NPD5330 Approved
0.6822 Remote Similarity NPD6050 Approved
0.6822 Remote Similarity NPD5694 Approved
0.6822 Remote Similarity NPD5693 Phase 1
0.68 Remote Similarity NPD4195 Approved
0.6792 Remote Similarity NPD4753 Phase 2
0.6789 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6789 Remote Similarity NPD4629 Approved
0.6789 Remote Similarity NPD5210 Approved
0.6777 Remote Similarity NPD7327 Approved
0.6777 Remote Similarity NPD7328 Approved
0.6762 Remote Similarity NPD7750 Discontinued
0.6762 Remote Similarity NPD4251 Approved
0.6762 Remote Similarity NPD4250 Approved
0.6762 Remote Similarity NPD7524 Approved
0.6759 Remote Similarity NPD5779 Approved
0.6759 Remote Similarity NPD5778 Approved
0.6748 Remote Similarity NPD8033 Approved
0.6733 Remote Similarity NPD6930 Phase 2
0.6733 Remote Similarity NPD7514 Phase 3
0.6733 Remote Similarity NPD6931 Approved
0.6729 Remote Similarity NPD5692 Phase 3
0.6729 Remote Similarity NPD5207 Approved
0.6726 Remote Similarity NPD7632 Discontinued
0.6726 Remote Similarity NPD5225 Approved
0.6726 Remote Similarity NPD5226 Approved
0.6726 Remote Similarity NPD5224 Approved
0.6726 Remote Similarity NPD4633 Approved
0.6721 Remote Similarity NPD7516 Approved
0.6721 Remote Similarity NPD7100 Approved
0.6721 Remote Similarity NPD7101 Approved
0.67 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6699 Remote Similarity NPD7154 Phase 3
0.6698 Remote Similarity NPD6903 Approved
0.6698 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6696 Remote Similarity NPD6648 Approved
0.6695 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD4249 Approved
0.6667 Remote Similarity NPD5175 Approved
0.6667 Remote Similarity NPD8377 Approved
0.6667 Remote Similarity NPD6411 Approved
0.6667 Remote Similarity NPD8294 Approved
0.6667 Remote Similarity NPD5174 Approved
0.6639 Remote Similarity NPD6335 Approved
0.6638 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6637 Remote Similarity NPD5344 Discontinued
0.6637 Remote Similarity NPD5223 Approved
0.6636 Remote Similarity NPD6080 Approved
0.6636 Remote Similarity NPD6904 Approved
0.6636 Remote Similarity NPD6673 Approved
0.6635 Remote Similarity NPD3665 Phase 1
0.6635 Remote Similarity NPD3666 Approved
0.6635 Remote Similarity NPD3133 Approved
0.6634 Remote Similarity NPD6929 Approved
0.6633 Remote Similarity NPD6924 Approved
0.6633 Remote Similarity NPD6926 Approved
0.6613 Remote Similarity NPD8379 Approved
0.6613 Remote Similarity NPD8378 Approved
0.6613 Remote Similarity NPD8296 Approved
0.6613 Remote Similarity NPD8380 Approved
0.6613 Remote Similarity NPD8335 Approved
0.6612 Remote Similarity NPD6274 Approved
0.6606 Remote Similarity NPD4202 Approved
0.6604 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6602 Remote Similarity NPD6435 Approved
0.6602 Remote Similarity NPD4270 Approved
0.6602 Remote Similarity NPD5209 Approved
0.6602 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6602 Remote Similarity NPD4269 Approved
0.6583 Remote Similarity NPD4632 Approved
0.6581 Remote Similarity NPD6686 Approved
0.6571 Remote Similarity NPD1694 Approved
0.6569 Remote Similarity NPD7332 Phase 2
0.6557 Remote Similarity NPD6317 Approved
0.6549 Remote Similarity NPD4700 Approved
0.6542 Remote Similarity NPD5737 Approved
0.6542 Remote Similarity NPD6672 Approved
0.6535 Remote Similarity NPD7145 Approved
0.6535 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6535 Remote Similarity NPD7507 Approved
0.6532 Remote Similarity NPD6319 Approved
0.6514 Remote Similarity NPD7087 Discontinued
0.6514 Remote Similarity NPD6079 Approved
0.6509 Remote Similarity NPD5280 Approved
0.6509 Remote Similarity NPD5690 Phase 2
0.6509 Remote Similarity NPD5279 Phase 3
0.6509 Remote Similarity NPD5786 Approved
0.6509 Remote Similarity NPD4694 Approved
0.6505 Remote Similarity NPD5369 Approved
0.6505 Remote Similarity NPD6902 Approved
0.6504 Remote Similarity NPD6313 Approved
0.6504 Remote Similarity NPD6314 Approved
0.65 Remote Similarity NPD3701 Clinical (unspecified phase)
0.65 Remote Similarity NPD6933 Approved
0.6496 Remote Similarity NPD6412 Phase 2
0.6486 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6481 Remote Similarity NPD6101 Approved
0.6481 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6476 Remote Similarity NPD4786 Approved
0.6465 Remote Similarity NPD4784 Approved
0.6465 Remote Similarity NPD4785 Approved
0.6457 Remote Similarity NPD7492 Approved
0.6442 Remote Similarity NPD4221 Approved
0.6442 Remote Similarity NPD4223 Phase 3
0.6441 Remote Similarity NPD4729 Approved
0.6441 Remote Similarity NPD4730 Approved
0.6436 Remote Similarity NPD6932 Approved
0.6436 Remote Similarity NPD6925 Approved
0.6436 Remote Similarity NPD5776 Phase 2
0.6423 Remote Similarity NPD6009 Approved
0.6422 Remote Similarity NPD6698 Approved
0.6422 Remote Similarity NPD46 Approved
0.6415 Remote Similarity NPD6893 Approved
0.6415 Remote Similarity NPD5329 Approved
0.641 Remote Similarity NPD6008 Approved
0.6408 Remote Similarity NPD7525 Registered
0.6408 Remote Similarity NPD5368 Approved
0.6408 Remote Similarity NPD4252 Approved
0.6406 Remote Similarity NPD6616 Approved
0.6404 Remote Similarity NPD6404 Discontinued
0.64 Remote Similarity NPD6942 Approved
0.64 Remote Similarity NPD8264 Approved
0.64 Remote Similarity NPD6054 Approved
0.64 Remote Similarity NPD7339 Approved
0.6389 Remote Similarity NPD5208 Approved
0.6389 Remote Similarity NPD4518 Approved
0.6385 Remote Similarity NPD7319 Approved

Structure

External Identifiers

PubChem CID   11705931
ChEMBL   CHEMBL1087056
ZINC  

Physicochemical Properties

Molecular Weight:  494.27
ALogP:  2.5381
MLogP:  4.1
XLogP:  3.451
# Rotatable Bonds:  9
Polar Surface Area:  93.06
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  5
# 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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