Natural Product: NPC272632

Natural Product ID:  NPC272632
Common Name:   Longipedlactone L
IUPAC Name:  
Synonyms:   Longipedlactone L
Molecular Formula:   C32H42O7
Standard InCHIKey:  BVSAMPPWSKMOPZ-DIKWVSQDSA-N
Standard InCHI:  InChI=1S/C32H42O7/c1-17-8-10-24(38-29(17)35)19(3)22-12-13-31(7)23(18(22)2)16-32(36)15-21-9-11-27(34)39-30(5,6)28(21)25(14-26(31)32)37-20(4)33/h8-9,11,15,19,22-26,28,36H,2,10,12-14,16H2,1,3-7H3/t19-,22-,23+,24-,25-,26+,28+,31-,32-/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@@H]2[C@](C=C3[C@@H]1C(C)(C)OC(=O)C=C3)(O)C[C@@H]1[C@@]2(C)CC[C@H](C1=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 20192237
NPT461 Cell Line PANC-1 Homo sapiens IC50 > 10000 nM 17850214
NPT81 Cell Line A549 Homo sapiens IC50 > 10000 nM 17850214
NPT116 Cell Line HL-60 Homo sapiens IC50 = 7300 nM PubChem BioAssay data set
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 > 10000 nM 27077705

  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 NPC272632 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
0.9691 High Similarity NPC280566
0.9505 High Similarity NPC238850
0.949 High Similarity NPC183570
0.9381 High Similarity NPC290802
0.9184 High Similarity NPC227865
0.9029 High Similarity NPC475274
0.8942 High Similarity NPC181298
0.89 High Similarity NPC298233
0.8866 High Similarity NPC120351
0.8866 High Similarity NPC166143
0.8866 High Similarity NPC471994
0.8857 High Similarity NPC471484
0.8857 High Similarity NPC255401
0.8857 High Similarity NPC262083
0.8857 High Similarity NPC284162
0.8611 High Similarity NPC43213
0.86 High Similarity NPC202705
0.8598 High Similarity NPC241477
0.8585 High Similarity NPC15551
0.8505 High Similarity NPC71680
0.844 Intermediate Similarity NPC216665
0.8365 Intermediate Similarity NPC297617
0.8318 Intermediate Similarity NPC75389
0.8224 Intermediate Similarity NPC275060
0.8173 Intermediate Similarity NPC99411
0.8095 Intermediate Similarity NPC471993
0.8091 Intermediate Similarity NPC44537
0.8073 Intermediate Similarity NPC16270
0.8058 Intermediate Similarity NPC141401
0.8056 Intermediate Similarity NPC220155
0.8037 Intermediate Similarity NPC295843
0.8019 Intermediate Similarity NPC171014
0.8019 Intermediate Similarity NPC85742
0.8 Intermediate Similarity NPC470076
0.7982 Intermediate Similarity NPC137911
0.7982 Intermediate Similarity NPC228477
0.7981 Intermediate Similarity NPC98868
0.7963 Intermediate Similarity NPC43063
0.7963 Intermediate Similarity NPC79298
0.7944 Intermediate Similarity NPC309190
0.7928 Intermediate Similarity NPC191620
0.7925 Intermediate Similarity NPC32577
0.7925 Intermediate Similarity NPC155332
0.7925 Intermediate Similarity NPC114540
0.7925 Intermediate Similarity NPC475320
0.7921 Intermediate Similarity NPC177641
0.7909 Intermediate Similarity NPC12795
0.79 Intermediate Similarity NPC177141
0.7895 Intermediate Similarity NPC288679
0.789 Intermediate Similarity NPC304276
0.789 Intermediate Similarity NPC137462
0.7876 Intermediate Similarity NPC470075
0.7864 Intermediate Similarity NPC293052
0.7857 Intermediate Similarity NPC171126
0.7857 Intermediate Similarity NPC241977
0.785 Intermediate Similarity NPC473283
0.785 Intermediate Similarity NPC72151
0.785 Intermediate Similarity NPC475526
0.785 Intermediate Similarity NPC329345
0.7843 Intermediate Similarity NPC162615
0.7843 Intermediate Similarity NPC38232
0.7843 Intermediate Similarity NPC152778
0.7843 Intermediate Similarity NPC205034
0.7838 Intermediate Similarity NPC474315
0.783 Intermediate Similarity NPC146822
0.783 Intermediate Similarity NPC115899
0.7822 Intermediate Similarity NPC182136
0.7822 Intermediate Similarity NPC273199
0.781 Intermediate Similarity NPC235464
0.781 Intermediate Similarity NPC166745
0.781 Intermediate Similarity NPC64742
0.7807 Intermediate Similarity NPC157380
0.7807 Intermediate Similarity NPC185287
0.78 Intermediate Similarity NPC473879
0.7798 Intermediate Similarity NPC91034
0.7788 Intermediate Similarity NPC16967
0.7788 Intermediate Similarity NPC190713
0.7778 Intermediate Similarity NPC475585
0.7778 Intermediate Similarity NPC474550
0.7778 Intermediate Similarity NPC473577
0.7768 Intermediate Similarity NPC100267
0.7768 Intermediate Similarity NPC221144
0.7768 Intermediate Similarity NPC475524
0.7767 Intermediate Similarity NPC469491
0.7759 Intermediate Similarity NPC114939
0.7759 Intermediate Similarity NPC145074
0.7759 Intermediate Similarity NPC41123
0.7757 Intermediate Similarity NPC320447
0.7748 Intermediate Similarity NPC103491
0.7745 Intermediate Similarity NPC473986
0.7745 Intermediate Similarity NPC474018
0.7739 Intermediate Similarity NPC16701
0.7736 Intermediate Similarity NPC266955
0.7736 Intermediate Similarity NPC241221
0.7727 Intermediate Similarity NPC475418
0.7727 Intermediate Similarity NPC318363
0.7727 Intermediate Similarity NPC473482
0.7723 Intermediate Similarity NPC257485
0.7719 Intermediate Similarity NPC148458
0.7714 Intermediate Similarity NPC99726
0.7714 Intermediate Similarity NPC110937
0.7712 Intermediate Similarity NPC6193
0.7706 Intermediate Similarity NPC119855
0.7706 Intermediate Similarity NPC220217
0.7706 Intermediate Similarity NPC475290
0.7706 Intermediate Similarity NPC266570
0.7692 Intermediate Similarity NPC312481
0.7692 Intermediate Similarity NPC281134
0.7692 Intermediate Similarity NPC33473
0.7692 Intermediate Similarity NPC171395
0.7692 Intermediate Similarity NPC20546
0.7685 Intermediate Similarity NPC180204
0.7685 Intermediate Similarity NPC475334
0.7685 Intermediate Similarity NPC475623
0.7685 Intermediate Similarity NPC473694
0.7679 Intermediate Similarity NPC470961
0.7677 Intermediate Similarity NPC471795
0.7672 Intermediate Similarity NPC278681
0.7672 Intermediate Similarity NPC305260
0.7672 Intermediate Similarity NPC213761
0.7672 Intermediate Similarity NPC35171
0.7672 Intermediate Similarity NPC270850
0.767 Intermediate Similarity NPC214697
0.7658 Intermediate Similarity NPC475065
0.7647 Intermediate Similarity NPC310479
0.7647 Intermediate Similarity NPC78973
0.7642 Intermediate Similarity NPC92275
0.7642 Intermediate Similarity NPC65700
0.7642 Intermediate Similarity NPC57079
0.7642 Intermediate Similarity NPC218107
0.7642 Intermediate Similarity NPC108368
0.7642 Intermediate Similarity NPC181147
0.7636 Intermediate Similarity NPC469959
0.7636 Intermediate Similarity NPC108682
0.7636 Intermediate Similarity NPC473284
0.7636 Intermediate Similarity NPC469957
0.7636 Intermediate Similarity NPC475294
0.7636 Intermediate Similarity NPC476958
0.7636 Intermediate Similarity NPC472263
0.7632 Intermediate Similarity NPC82759
0.7619 Intermediate Similarity NPC473153
0.7619 Intermediate Similarity NPC9812
0.7615 Intermediate Similarity NPC80809
0.7615 Intermediate Similarity NPC472822
0.7615 Intermediate Similarity NPC201144
0.7615 Intermediate Similarity NPC181104
0.7615 Intermediate Similarity NPC200861
0.7615 Intermediate Similarity NPC165969
0.7615 Intermediate Similarity NPC288502
0.7615 Intermediate Similarity NPC121518
0.7615 Intermediate Similarity NPC475335
0.7615 Intermediate Similarity NPC475331
0.7615 Intermediate Similarity NPC103298
0.7615 Intermediate Similarity NPC472868
0.7611 Intermediate Similarity NPC247760
0.7611 Intermediate Similarity NPC236217
0.7607 Intermediate Similarity NPC19336
0.7607 Intermediate Similarity NPC112936
0.7607 Intermediate Similarity NPC474370
0.7607 Intermediate Similarity NPC185876
0.7596 Intermediate Similarity NPC469697
0.7596 Intermediate Similarity NPC104925
0.7596 Intermediate Similarity NPC7165
0.7596 Intermediate Similarity NPC191521
0.7596 Intermediate Similarity NPC298973
0.7589 Intermediate Similarity NPC37116
0.7589 Intermediate Similarity NPC29133
0.7589 Intermediate Similarity NPC473627
0.7586 Intermediate Similarity NPC153440
0.7586 Intermediate Similarity NPC475372
0.7586 Intermediate Similarity NPC472760
0.7573 Intermediate Similarity NPC212948
0.7573 Intermediate Similarity NPC470113
0.7573 Intermediate Similarity NPC303697
0.757 Intermediate Similarity NPC473510
0.7568 Intermediate Similarity NPC470024
0.7565 Intermediate Similarity NPC190286
0.7549 Intermediate Similarity NPC473647
0.7549 Intermediate Similarity NPC146554
0.7547 Intermediate Similarity NPC231751
0.7547 Intermediate Similarity NPC469432
0.7547 Intermediate Similarity NPC107243
0.7545 Intermediate Similarity NPC189863
0.7545 Intermediate Similarity NPC60315
0.7545 Intermediate Similarity NPC265502
0.7545 Intermediate Similarity NPC477125
0.7545 Intermediate Similarity NPC469960
0.7545 Intermediate Similarity NPC29389
0.7545 Intermediate Similarity NPC93026
0.7544 Intermediate Similarity NPC73050
0.7544 Intermediate Similarity NPC154815
0.7544 Intermediate Similarity NPC122056
0.7542 Intermediate Similarity NPC46570
0.7525 Intermediate Similarity NPC471657
0.7525 Intermediate Similarity NPC128644
0.7525 Intermediate Similarity NPC45957
0.7524 Intermediate Similarity NPC474909
0.7524 Intermediate Similarity NPC276110
0.7523 Intermediate Similarity NPC23584
0.7523 Intermediate Similarity NPC112009

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC272632 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
0.7407 Intermediate Similarity NPD7640 Approved
0.7407 Intermediate Similarity NPD7639 Approved
0.7404 Intermediate Similarity NPD7637 Suspended
0.7395 Intermediate Similarity NPD7503 Approved
0.7379 Intermediate Similarity NPD6051 Approved
0.735 Intermediate Similarity NPD7115 Discovery
0.7315 Intermediate Similarity NPD7638 Approved
0.7304 Intermediate Similarity NPD6053 Discontinued
0.7257 Intermediate Similarity NPD6899 Approved
0.7257 Intermediate Similarity NPD6881 Approved
0.7238 Intermediate Similarity NPD5284 Approved
0.7238 Intermediate Similarity NPD5281 Approved
0.7228 Intermediate Similarity NPD7338 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD6083 Phase 2
0.7222 Intermediate Similarity NPD6084 Phase 2
0.7217 Intermediate Similarity NPD8130 Phase 1
0.7196 Intermediate Similarity NPD5695 Phase 3
0.7168 Intermediate Similarity NPD5697 Approved
0.7156 Intermediate Similarity NPD4225 Approved
0.7155 Intermediate Similarity NPD8297 Approved
0.7143 Intermediate Similarity NPD5785 Approved
0.713 Intermediate Similarity NPD6883 Approved
0.713 Intermediate Similarity NPD7102 Approved
0.713 Intermediate Similarity NPD7290 Approved
0.713 Intermediate Similarity NPD6371 Approved
0.7129 Intermediate Similarity NPD6695 Phase 3
0.708 Intermediate Similarity NPD6402 Approved
0.708 Intermediate Similarity NPD5739 Approved
0.708 Intermediate Similarity NPD6675 Approved
0.708 Intermediate Similarity NPD7128 Approved
0.7069 Intermediate Similarity NPD6649 Approved
0.7069 Intermediate Similarity NPD6847 Approved
0.7069 Intermediate Similarity NPD6617 Approved
0.7069 Intermediate Similarity NPD6650 Approved
0.7069 Intermediate Similarity NPD6869 Approved
0.7043 Intermediate Similarity NPD6014 Approved
0.7043 Intermediate Similarity NPD6012 Approved
0.7043 Intermediate Similarity NPD6013 Approved
0.7019 Intermediate Similarity NPD7750 Discontinued
0.7009 Intermediate Similarity NPD6882 Approved
0.7009 Intermediate Similarity NPD6399 Phase 3
0.7 Intermediate Similarity NPD4821 Approved
0.7 Intermediate Similarity NPD4822 Approved
0.7 Intermediate Similarity NPD4819 Approved
0.7 Intermediate Similarity NPD4820 Approved
0.7 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5696 Approved
0.6981 Remote Similarity NPD7838 Discovery
0.6967 Remote Similarity NPD8033 Approved
0.6964 Remote Similarity NPD5211 Phase 2
0.6957 Remote Similarity NPD7320 Approved
0.6957 Remote Similarity NPD6011 Approved
0.6937 Remote Similarity NPD6648 Approved
0.6923 Remote Similarity NPD6409 Approved
0.6923 Remote Similarity NPD5330 Approved
0.6923 Remote Similarity NPD7521 Approved
0.6923 Remote Similarity NPD6684 Approved
0.6923 Remote Similarity NPD7146 Approved
0.6923 Remote Similarity NPD7334 Approved
0.6916 Remote Similarity NPD5694 Approved
0.6916 Remote Similarity NPD5693 Phase 1
0.6916 Remote Similarity NPD6050 Approved
0.69 Remote Similarity NPD4195 Approved
0.6897 Remote Similarity NPD6373 Approved
0.6897 Remote Similarity NPD6372 Approved
0.6893 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6885 Remote Similarity NPD8377 Approved
0.6885 Remote Similarity NPD8294 Approved
0.687 Remote Similarity NPD5701 Approved
0.6863 Remote Similarity NPD4752 Clinical (unspecified phase)
0.686 Remote Similarity NPD7328 Approved
0.686 Remote Similarity NPD7327 Approved
0.6857 Remote Similarity NPD7524 Approved
0.6847 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6842 Remote Similarity NPD5141 Approved
0.6832 Remote Similarity NPD7514 Phase 3
0.6832 Remote Similarity NPD6930 Phase 2
0.6832 Remote Similarity NPD6931 Approved
0.6829 Remote Similarity NPD8335 Approved
0.6829 Remote Similarity NPD8380 Approved
0.6829 Remote Similarity NPD8378 Approved
0.6829 Remote Similarity NPD8379 Approved
0.6829 Remote Similarity NPD8296 Approved
0.6827 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5692 Phase 3
0.6822 Remote Similarity NPD5207 Approved
0.6814 Remote Similarity NPD7632 Discontinued
0.6803 Remote Similarity NPD7516 Approved
0.68 Remote Similarity NPD4268 Approved
0.68 Remote Similarity NPD4271 Approved
0.6796 Remote Similarity NPD5362 Discontinued
0.6792 Remote Similarity NPD6903 Approved
0.6792 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6786 Remote Similarity NPD4696 Approved
0.6786 Remote Similarity NPD5285 Approved
0.6786 Remote Similarity NPD5286 Approved
0.6735 Remote Similarity NPD6926 Approved
0.6735 Remote Similarity NPD6924 Approved
0.6733 Remote Similarity NPD6929 Approved
0.6729 Remote Similarity NPD6673 Approved
0.6729 Remote Similarity NPD6080 Approved
0.6729 Remote Similarity NPD4753 Phase 2
0.6729 Remote Similarity NPD6904 Approved
0.6727 Remote Similarity NPD5210 Approved
0.6727 Remote Similarity NPD4629 Approved
0.6726 Remote Similarity NPD5344 Discontinued
0.6724 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7100 Approved
0.6667 Remote Similarity NPD5225 Approved
0.6667 Remote Similarity NPD5224 Approved
0.6667 Remote Similarity NPD5363 Approved
0.6667 Remote Similarity NPD4633 Approved
0.6667 Remote Similarity NPD6686 Approved
0.6667 Remote Similarity NPD5226 Approved
0.6667 Remote Similarity NPD7332 Phase 2
0.6667 Remote Similarity NPD7101 Approved
0.6639 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6636 Remote Similarity NPD5737 Approved
0.6636 Remote Similarity NPD6672 Approved
0.6635 Remote Similarity NPD5332 Approved
0.6635 Remote Similarity NPD5331 Approved
0.6634 Remote Similarity NPD7145 Approved
0.6634 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6614 Remote Similarity NPD7507 Approved
0.6609 Remote Similarity NPD5175 Approved
0.6609 Remote Similarity NPD5174 Approved
0.6607 Remote Similarity NPD4755 Approved
0.6606 Remote Similarity NPD7087 Discontinued
0.6604 Remote Similarity NPD4694 Approved
0.6604 Remote Similarity NPD5280 Approved
0.6604 Remote Similarity NPD5690 Phase 2
0.6602 Remote Similarity NPD6902 Approved
0.6602 Remote Similarity NPD4790 Discontinued
0.66 Remote Similarity NPD6933 Approved
0.6585 Remote Similarity NPD6335 Approved
0.6579 Remote Similarity NPD5223 Approved
0.6577 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6577 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6571 Remote Similarity NPD3666 Approved
0.6571 Remote Similarity NPD3133 Approved
0.6571 Remote Similarity NPD3665 Phase 1
0.6566 Remote Similarity NPD4785 Approved
0.6566 Remote Similarity NPD4784 Approved
0.6557 Remote Similarity NPD6274 Approved
0.6545 Remote Similarity NPD5779 Approved
0.6545 Remote Similarity NPD4202 Approved
0.6545 Remote Similarity NPD5778 Approved
0.6542 Remote Similarity NPD4251 Approved
0.6542 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6542 Remote Similarity NPD4250 Approved
0.6538 Remote Similarity NPD4221 Approved
0.6538 Remote Similarity NPD4223 Phase 3
0.6538 Remote Similarity NPD5209 Approved
0.6535 Remote Similarity NPD5776 Phase 2
0.6535 Remote Similarity NPD6925 Approved
0.6535 Remote Similarity NPD6932 Approved
0.6529 Remote Similarity NPD4632 Approved
0.6509 Remote Similarity NPD5329 Approved
0.6509 Remote Similarity NPD6893 Approved
0.6509 Remote Similarity NPD1694 Approved
0.6505 Remote Similarity NPD7525 Registered
0.6504 Remote Similarity NPD6317 Approved
0.6496 Remote Similarity NPD6008 Approved
0.6491 Remote Similarity NPD4700 Approved
0.6491 Remote Similarity NPD6404 Discontinued
0.6486 Remote Similarity NPD7748 Approved
0.6481 Remote Similarity NPD5208 Approved
0.648 Remote Similarity NPD6319 Approved
0.6476 Remote Similarity NPD7154 Phase 3
0.6471 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6462 Remote Similarity NPD7319 Approved
0.646 Remote Similarity NPD7902 Approved
0.6455 Remote Similarity NPD8035 Phase 2
0.6455 Remote Similarity NPD6411 Approved
0.6455 Remote Similarity NPD8034 Phase 2
0.6455 Remote Similarity NPD6079 Approved
0.6452 Remote Similarity NPD6314 Approved
0.6452 Remote Similarity NPD6313 Approved
0.6449 Remote Similarity NPD6098 Approved
0.6449 Remote Similarity NPD5279 Phase 3
0.6449 Remote Similarity NPD4249 Approved
0.6441 Remote Similarity NPD6412 Phase 2
0.6436 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7143 Approved
0.6429 Remote Similarity NPD5654 Approved
0.6429 Remote Similarity NPD7144 Approved
0.6415 Remote Similarity NPD4786 Approved
0.6415 Remote Similarity NPD4197 Approved
0.6406 Remote Similarity NPD7492 Approved
0.6387 Remote Similarity NPD4729 Approved
0.6387 Remote Similarity NPD4730 Approved
0.6385 Remote Similarity NPD7736 Approved
0.6381 Remote Similarity NPD6435 Approved
0.6381 Remote Similarity NPD4269 Approved
0.6381 Remote Similarity NPD4270 Approved
0.6372 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6371 Remote Similarity NPD6009 Approved
0.6364 Remote Similarity NPD7152 Approved
0.6364 Remote Similarity NPD4243 Approved
0.6364 Remote Similarity NPD7150 Approved

Structure

External Identifiers

PubChem CID   44628111
ChEMBL   CHEMBL1077065
ZINC  

Physicochemical Properties

Molecular Weight:  538.29
ALogP:  2.6075
MLogP:  4.21
XLogP:  4.526
# Rotatable Bonds:  11
Polar Surface Area:  99.13
# H-Bond Aceptor:  7
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  39

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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