Natural Product: NPC52756

Natural Product ID:  NPC52756
Common Name:   Lancifodilactone H
IUPAC Name:  
Synonyms:   lancifodilactone H
Molecular Formula:   C27H40O5
Standard InCHIKey:  VOQMBAJQSRMTML-CMXOSDEXSA-N
Standard InCHI:  InChI=1S/C27H40O5/c1-14-6-7-20(31)32-16-11-24(4)22-15(28)10-17-23(2,3)18(29)8-9-26(17)13-27(22,26)12-19(30)25(24,5)21(14)16/h14-17,19,21-22,28,30H,6-13H2,1-5H3/t14-,15+,16-,17+,19-,21+,22+,24+,25-,26-,27+/m1/s1
Canonical SMILES:  O=C1CC[C@H]([C@H]2[C@H](O1)C[C@@]1([C@]2(C)[C@H](O)C[C@@]23[C@H]1[C@@H](O)C[C@@H]1[C@]3(C2)CCC(=O)C1(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
NPO19507 Schisandra lancifolia Species Schisandraceae Eukaryota PMID[16499331]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1452 Cell Line C8166 Homo sapiens CC50 > 200 ug/ml 11809056
NPT24 Organism Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 = 16.6 ug/ml 22568524

  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 NPC52756 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
0.9425 High Similarity NPC77756
0.9 High Similarity NPC476189
0.8824 High Similarity NPC469745
0.875 High Similarity NPC472272
0.8736 High Similarity NPC471044
0.8736 High Similarity NPC473336
0.8706 High Similarity NPC477851
0.8696 High Similarity NPC470423
0.8696 High Similarity NPC470424
0.8652 High Similarity NPC239938
0.8588 High Similarity NPC201276
0.8588 High Similarity NPC320144
0.8588 High Similarity NPC80891
0.8539 High Similarity NPC302111
0.8506 High Similarity NPC61107
0.8506 High Similarity NPC289486
0.8471 Intermediate Similarity NPC224802
0.8471 Intermediate Similarity NPC324700
0.8471 Intermediate Similarity NPC80089
0.8471 Intermediate Similarity NPC171426
0.8471 Intermediate Similarity NPC34046
0.8471 Intermediate Similarity NPC185465
0.8404 Intermediate Similarity NPC470031
0.8404 Intermediate Similarity NPC287354
0.8404 Intermediate Similarity NPC62407
0.8404 Intermediate Similarity NPC305808
0.8387 Intermediate Similarity NPC161035
0.8372 Intermediate Similarity NPC476176
0.8353 Intermediate Similarity NPC207010
0.8353 Intermediate Similarity NPC317913
0.8333 Intermediate Similarity NPC476727
0.8333 Intermediate Similarity NPC476726
0.8333 Intermediate Similarity NPC472745
0.8316 Intermediate Similarity NPC476728
0.8315 Intermediate Similarity NPC319909
0.8315 Intermediate Similarity NPC237938
0.8315 Intermediate Similarity NPC219535
0.8298 Intermediate Similarity NPC477495
0.8295 Intermediate Similarity NPC121121
0.8261 Intermediate Similarity NPC471459
0.8261 Intermediate Similarity NPC56962
0.8261 Intermediate Similarity NPC200580
0.8261 Intermediate Similarity NPC67653
0.8261 Intermediate Similarity NPC24705
0.8256 Intermediate Similarity NPC471045
0.8235 Intermediate Similarity NPC4209
0.8229 Intermediate Similarity NPC471241
0.8222 Intermediate Similarity NPC473350
0.8202 Intermediate Similarity NPC327451
0.8191 Intermediate Similarity NPC472231
0.8191 Intermediate Similarity NPC472232
0.8182 Intermediate Similarity NPC12933
0.8163 Intermediate Similarity NPC121218
0.8163 Intermediate Similarity NPC253886
0.8152 Intermediate Similarity NPC226491
0.8152 Intermediate Similarity NPC477614
0.814 Intermediate Similarity NPC475031
0.8132 Intermediate Similarity NPC80700
0.8132 Intermediate Similarity NPC83242
0.8125 Intermediate Similarity NPC29410
0.8125 Intermediate Similarity NPC200054
0.8125 Intermediate Similarity NPC116683
0.8125 Intermediate Similarity NPC234564
0.8118 Intermediate Similarity NPC273366
0.8118 Intermediate Similarity NPC159789
0.8118 Intermediate Similarity NPC212733
0.8111 Intermediate Similarity NPC473299
0.8111 Intermediate Similarity NPC477434
0.8111 Intermediate Similarity NPC50438
0.81 Intermediate Similarity NPC327093
0.81 Intermediate Similarity NPC29705
0.809 Intermediate Similarity NPC30583
0.8081 Intermediate Similarity NPC470172
0.8081 Intermediate Similarity NPC170615
0.8081 Intermediate Similarity NPC244969
0.8081 Intermediate Similarity NPC213528
0.8068 Intermediate Similarity NPC261616
0.8068 Intermediate Similarity NPC470609
0.8065 Intermediate Similarity NPC61688
0.8061 Intermediate Similarity NPC41843
0.8061 Intermediate Similarity NPC94906
0.8043 Intermediate Similarity NPC202937
0.8041 Intermediate Similarity NPC472273
0.8039 Intermediate Similarity NPC211224
0.8023 Intermediate Similarity NPC472487
0.8023 Intermediate Similarity NPC471046
0.8023 Intermediate Similarity NPC472486
0.8022 Intermediate Similarity NPC266651
0.8021 Intermediate Similarity NPC205173
0.8021 Intermediate Similarity NPC98639
0.802 Intermediate Similarity NPC278628
0.802 Intermediate Similarity NPC231530
0.8 Intermediate Similarity NPC473406
0.8 Intermediate Similarity NPC280026
0.8 Intermediate Similarity NPC167702
0.8 Intermediate Similarity NPC469985
0.7981 Intermediate Similarity NPC470281
0.798 Intermediate Similarity NPC75941
0.7978 Intermediate Similarity NPC77311
0.7978 Intermediate Similarity NPC58631
0.7978 Intermediate Similarity NPC73515
0.7961 Intermediate Similarity NPC227879
0.7961 Intermediate Similarity NPC208333
0.7959 Intermediate Similarity NPC28864
0.7959 Intermediate Similarity NPC20479
0.7959 Intermediate Similarity NPC472028
0.7959 Intermediate Similarity NPC38296
0.7959 Intermediate Similarity NPC471038
0.7959 Intermediate Similarity NPC162459
0.7959 Intermediate Similarity NPC38471
0.7959 Intermediate Similarity NPC98837
0.7957 Intermediate Similarity NPC236459
0.7957 Intermediate Similarity NPC131104
0.7957 Intermediate Similarity NPC473319
0.7957 Intermediate Similarity NPC3032
0.7955 Intermediate Similarity NPC472310
0.7938 Intermediate Similarity NPC329910
0.7938 Intermediate Similarity NPC193785
0.7935 Intermediate Similarity NPC474448
0.7935 Intermediate Similarity NPC248216
0.7931 Intermediate Similarity NPC474404
0.7931 Intermediate Similarity NPC143133
0.7931 Intermediate Similarity NPC298168
0.7931 Intermediate Similarity NPC221420
0.7921 Intermediate Similarity NPC47281
0.7921 Intermediate Similarity NPC100078
0.7921 Intermediate Similarity NPC310586
0.7907 Intermediate Similarity NPC125767
0.7907 Intermediate Similarity NPC179858
0.7907 Intermediate Similarity NPC186851
0.7907 Intermediate Similarity NPC21220
0.79 Intermediate Similarity NPC15396
0.79 Intermediate Similarity NPC124544
0.7895 Intermediate Similarity NPC475878
0.7895 Intermediate Similarity NPC473066
0.7889 Intermediate Similarity NPC317066
0.7889 Intermediate Similarity NPC268040
0.7882 Intermediate Similarity NPC232112
0.7879 Intermediate Similarity NPC108371
0.7879 Intermediate Similarity NPC180733
0.7879 Intermediate Similarity NPC293866
0.7879 Intermediate Similarity NPC41971
0.7879 Intermediate Similarity NPC37047
0.7872 Intermediate Similarity NPC477443
0.7872 Intermediate Similarity NPC477440
0.7865 Intermediate Similarity NPC472853
0.7865 Intermediate Similarity NPC474714
0.7864 Intermediate Similarity NPC94529
0.7864 Intermediate Similarity NPC472079
0.7864 Intermediate Similarity NPC316930
0.7849 Intermediate Similarity NPC470920
0.7849 Intermediate Similarity NPC263802
0.7849 Intermediate Similarity NPC5943
0.7843 Intermediate Similarity NPC37600
0.7843 Intermediate Similarity NPC265127
0.7843 Intermediate Similarity NPC166079
0.7843 Intermediate Similarity NPC50535
0.7843 Intermediate Similarity NPC306776
0.7843 Intermediate Similarity NPC28791
0.7843 Intermediate Similarity NPC295366
0.7841 Intermediate Similarity NPC476732
0.7841 Intermediate Similarity NPC199965
0.7835 Intermediate Similarity NPC470232
0.7835 Intermediate Similarity NPC288906
0.7835 Intermediate Similarity NPC470229
0.7835 Intermediate Similarity NPC17336
0.7835 Intermediate Similarity NPC263135
0.7822 Intermediate Similarity NPC471253
0.7822 Intermediate Similarity NPC470310
0.7822 Intermediate Similarity NPC87927
0.7822 Intermediate Similarity NPC140723
0.7816 Intermediate Similarity NPC5767
0.7816 Intermediate Similarity NPC475742
0.7812 Intermediate Similarity NPC244356
0.7812 Intermediate Similarity NPC224060
0.7802 Intermediate Similarity NPC15091
0.7802 Intermediate Similarity NPC259173
0.78 Intermediate Similarity NPC289148
0.78 Intermediate Similarity NPC52899
0.78 Intermediate Similarity NPC46848
0.78 Intermediate Similarity NPC163963
0.78 Intermediate Similarity NPC252614
0.78 Intermediate Similarity NPC295276
0.7789 Intermediate Similarity NPC88337
0.7789 Intermediate Similarity NPC475211
0.7789 Intermediate Similarity NPC477444
0.7789 Intermediate Similarity NPC477442
0.7789 Intermediate Similarity NPC477433
0.7789 Intermediate Similarity NPC476296
0.7788 Intermediate Similarity NPC320475
0.7788 Intermediate Similarity NPC321661
0.7778 Intermediate Similarity NPC474793
0.7778 Intermediate Similarity NPC476294
0.7778 Intermediate Similarity NPC89099
0.7778 Intermediate Similarity NPC476071
0.7767 Intermediate Similarity NPC86852
0.7767 Intermediate Similarity NPC251824
0.7766 Intermediate Similarity NPC191221
0.7766 Intermediate Similarity NPC476379
0.7765 Intermediate Similarity NPC58057

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC52756 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
0.8471 Intermediate Similarity NPD6118 Approved
0.8471 Intermediate Similarity NPD6114 Approved
0.8471 Intermediate Similarity NPD6697 Approved
0.8471 Intermediate Similarity NPD6115 Approved
0.8353 Intermediate Similarity NPD6116 Phase 1
0.8235 Intermediate Similarity NPD6117 Approved
0.8118 Intermediate Similarity NPD3703 Phase 2
0.8 Intermediate Similarity NPD6113 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD5777 Approved
0.7765 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7701 Intermediate Similarity NPD3702 Approved
0.7647 Intermediate Similarity NPD4245 Approved
0.7647 Intermediate Similarity NPD4244 Approved
0.7573 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD3698 Phase 2
0.7529 Intermediate Similarity NPD3700 Clinical (unspecified phase)
0.7529 Intermediate Similarity NPD3699 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD6081 Approved
0.7347 Intermediate Similarity NPD8035 Phase 2
0.7347 Intermediate Similarity NPD8034 Phase 2
0.7333 Intermediate Similarity NPD6402 Approved
0.7333 Intermediate Similarity NPD5739 Approved
0.7333 Intermediate Similarity NPD7128 Approved
0.7333 Intermediate Similarity NPD6675 Approved
0.7283 Intermediate Similarity NPD6928 Phase 2
0.7263 Intermediate Similarity NPD7520 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD4789 Approved
0.7209 Intermediate Similarity NPD5360 Phase 3
0.7209 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD6881 Approved
0.7196 Intermediate Similarity NPD6899 Approved
0.7196 Intermediate Similarity NPD7320 Approved
0.7176 Intermediate Similarity NPD4224 Phase 2
0.717 Intermediate Similarity NPD6008 Approved
0.713 Intermediate Similarity NPD6372 Approved
0.713 Intermediate Similarity NPD6373 Approved
0.7115 Intermediate Similarity NPD1700 Approved
0.7103 Intermediate Similarity NPD5697 Approved
0.7103 Intermediate Similarity NPD5701 Approved
0.7087 Intermediate Similarity NPD7638 Approved
0.7069 Intermediate Similarity NPD7604 Phase 2
0.7064 Intermediate Similarity NPD7102 Approved
0.7064 Intermediate Similarity NPD7290 Approved
0.7064 Intermediate Similarity NPD6883 Approved
0.7059 Intermediate Similarity NPD3171 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD6011 Approved
0.7027 Intermediate Similarity NPD4632 Approved
0.7019 Intermediate Similarity NPD7640 Approved
0.7019 Intermediate Similarity NPD7639 Approved
0.7 Intermediate Similarity NPD6617 Approved
0.7 Intermediate Similarity NPD6869 Approved
0.7 Intermediate Similarity NPD8130 Phase 1
0.7 Intermediate Similarity NPD6650 Approved
0.7 Intermediate Similarity NPD6649 Approved
0.7 Intermediate Similarity NPD6847 Approved
0.7 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.6972 Remote Similarity NPD6014 Approved
0.6972 Remote Similarity NPD6012 Approved
0.6972 Remote Similarity NPD6013 Approved
0.6937 Remote Similarity NPD6882 Approved
0.6937 Remote Similarity NPD8297 Approved
0.6931 Remote Similarity NPD6399 Phase 3
0.6887 Remote Similarity NPD7632 Discontinued
0.6882 Remote Similarity NPD3671 Phase 1
0.6857 Remote Similarity NPD8418 Phase 2
0.6842 Remote Similarity NPD6009 Approved
0.6827 Remote Similarity NPD4755 Approved
0.681 Remote Similarity NPD6319 Approved
0.68 Remote Similarity NPD5328 Approved
0.6778 Remote Similarity NPD4758 Discontinued
0.6752 Remote Similarity NPD5983 Phase 2
0.6742 Remote Similarity NPD4267 Clinical (unspecified phase)
0.6727 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7492 Approved
0.6702 Remote Similarity NPD5364 Discontinued
0.6701 Remote Similarity NPD4788 Approved
0.6698 Remote Similarity NPD5285 Approved
0.6698 Remote Similarity NPD5286 Approved
0.6698 Remote Similarity NPD4700 Approved
0.6698 Remote Similarity NPD4696 Approved
0.6694 Remote Similarity NPD7736 Approved
0.6667 Remote Similarity NPD6059 Approved
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD7507 Approved
0.6667 Remote Similarity NPD6336 Discontinued
0.6667 Remote Similarity NPD6616 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD4787 Phase 1
0.6667 Remote Similarity NPD6079 Approved
0.6638 Remote Similarity NPD6335 Approved
0.6636 Remote Similarity NPD5223 Approved
0.6635 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6612 Remote Similarity NPD7078 Approved
0.6612 Remote Similarity NPD8293 Discontinued
0.6609 Remote Similarity NPD6274 Approved
0.6602 Remote Similarity NPD8171 Discontinued
0.6602 Remote Similarity NPD4202 Approved
0.6581 Remote Similarity NPD7100 Approved
0.6581 Remote Similarity NPD7101 Approved
0.6579 Remote Similarity NPD8133 Approved
0.6574 Remote Similarity NPD4633 Approved
0.6574 Remote Similarity NPD5225 Approved
0.6574 Remote Similarity NPD5211 Phase 2
0.6574 Remote Similarity NPD5224 Approved
0.6574 Remote Similarity NPD5226 Approved
0.6555 Remote Similarity NPD6370 Approved
0.6552 Remote Similarity NPD6317 Approved
0.6538 Remote Similarity NPD7748 Approved
0.6535 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6526 Remote Similarity NPD4238 Approved
0.6526 Remote Similarity NPD4802 Phase 2
0.6514 Remote Similarity NPD5174 Approved
0.6514 Remote Similarity NPD4754 Approved
0.6514 Remote Similarity NPD5175 Approved
0.6509 Remote Similarity NPD7902 Approved
0.6505 Remote Similarity NPD7515 Phase 2
0.6504 Remote Similarity NPD7319 Approved
0.65 Remote Similarity NPD7146 Approved
0.65 Remote Similarity NPD6409 Approved
0.65 Remote Similarity NPD7334 Approved
0.65 Remote Similarity NPD7521 Approved
0.65 Remote Similarity NPD5330 Approved
0.65 Remote Similarity NPD6684 Approved
0.6496 Remote Similarity NPD6314 Approved
0.6496 Remote Similarity NPD6313 Approved
0.6495 Remote Similarity NPD1780 Approved
0.6495 Remote Similarity NPD1779 Approved
0.6491 Remote Similarity NPD6053 Discontinued
0.6486 Remote Similarity NPD6412 Phase 2
0.6471 Remote Similarity NPD6016 Approved
0.6471 Remote Similarity NPD3198 Approved
0.6471 Remote Similarity NPD6015 Approved
0.6471 Remote Similarity NPD6909 Approved
0.6471 Remote Similarity NPD6908 Approved
0.6466 Remote Similarity NPD6940 Discontinued
0.6465 Remote Similarity NPD4786 Approved
0.646 Remote Similarity NPD4634 Approved
0.6455 Remote Similarity NPD5141 Approved
0.6417 Remote Similarity NPD5988 Approved
0.6415 Remote Similarity NPD5221 Approved
0.6415 Remote Similarity NPD5222 Approved
0.6415 Remote Similarity NPD4697 Phase 3
0.6415 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6396 Remote Similarity NPD4767 Approved
0.6396 Remote Similarity NPD4768 Approved
0.6373 Remote Similarity NPD6903 Approved
0.6372 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6372 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3669 Approved
0.6364 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6355 Remote Similarity NPD5173 Approved
0.6337 Remote Similarity NPD3618 Phase 1
0.6333 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6325 Remote Similarity NPD6868 Approved
0.6321 Remote Similarity NPD5695 Phase 3
0.6321 Remote Similarity NPD7991 Discontinued
0.63 Remote Similarity NPD3666 Approved
0.63 Remote Similarity NPD3665 Phase 1
0.63 Remote Similarity NPD3133 Approved
0.6296 Remote Similarity NPD5696 Approved
0.629 Remote Similarity NPD6033 Approved
0.6283 Remote Similarity NPD5128 Approved
0.6283 Remote Similarity NPD4730 Approved
0.6283 Remote Similarity NPD4729 Approved
0.6271 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6435 Approved
0.6263 Remote Similarity NPD3667 Approved
0.6226 Remote Similarity NPD7900 Approved
0.6226 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6001 Approved
0.6224 Remote Similarity NPD7525 Registered
0.6214 Remote Similarity NPD6672 Approved
0.6214 Remote Similarity NPD5737 Approved
0.6176 Remote Similarity NPD6098 Approved
0.6174 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6174 Remote Similarity NPD5169 Approved
0.6174 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6174 Remote Similarity NPD5249 Phase 3
0.6174 Remote Similarity NPD5248 Approved
0.6174 Remote Similarity NPD5247 Approved
0.6174 Remote Similarity NPD5250 Approved
0.6174 Remote Similarity NPD5135 Approved
0.6174 Remote Similarity NPD5251 Approved
0.6154 Remote Similarity NPD8298 Phase 2
0.6154 Remote Similarity NPD6904 Approved
0.6154 Remote Similarity NPD6673 Approved
0.6154 Remote Similarity NPD4753 Phase 2
0.6154 Remote Similarity NPD6080 Approved
0.6134 Remote Similarity NPD7115 Discovery
0.6121 Remote Similarity NPD5216 Approved
0.6121 Remote Similarity NPD5127 Approved
0.6121 Remote Similarity NPD5217 Approved
0.6121 Remote Similarity NPD5215 Approved
0.6106 Remote Similarity NPD6920 Discontinued
0.6098 Remote Similarity NPD6067 Discontinued
0.6098 Remote Similarity NPD8328 Phase 3
0.6083 Remote Similarity NPD7327 Approved
0.6083 Remote Similarity NPD7328 Approved

Structure

External Identifiers

PubChem CID   11669451
ChEMBL   CHEMBL481455
ZINC  

Physicochemical Properties

Molecular Weight:  444.29
ALogP:  0.3538
MLogP:  3.88
XLogP:  3.638
# Rotatable Bonds:  7
Polar Surface Area:  83.83
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  32

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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