Natural Product: NPC473701

Natural Product ID:  NPC473701
Common Name:   Kadcoccilactone H
IUPAC Name:  
Synonyms:   Kadcoccilactone H
Molecular Formula:   C31H44O10
Standard InCHIKey:  TYIFGMPLIUCLBI-YJYPTXDDSA-N
Standard InCHI:  InChI=1S/C31H44O10/c1-14-9-18(38-26(14)35)24-15(2)17-10-21(33)28(6)25-19(37-16(3)32)11-20-27(4,5)39-22-12-23(34)40-30(20,22)13-29(25,36)7-8-31(17,28)41-24/h14-15,17-22,24-25,33,36H,7-13H2,1-6H3/t14?,15-,17+,18?,19+,20-,21-,22+,24-,25-,28+,29-,30+,31-/m0/s1
Canonical SMILES:  CC(=O)O[C@@H]1C[C@H]2C(C)(C)O[C@H]3[C@]2(C[C@@]2([C@@H]1[C@@]1(C)[C@@H](O)C[C@H]4[C@]1(CC2)O[C@@H]([C@H]4C)C1CC(C(=O)O1)C)O)OC(=O)C3
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
NPO912 Kadsura coccinea Species Schisandraceae Eukaryota PMID[18590312]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 > 100 ug/ml 17503850
NPT111 Cell Line K562 Homo sapiens IC50 > 100 ug/ml 17562368
NPT81 Cell Line A549 Homo sapiens IC50 > 100 ug/ml 25375978
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 100 ug/ml 19489596
NPT81 Cell Line A549 Homo sapiens IC > 100 ug/ml 12502328
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 100 ug/ml 20666364

  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 NPC473701 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
1.0 High Similarity NPC473526
0.8469 Intermediate Similarity NPC474065
0.8447 Intermediate Similarity NPC244969
0.8447 Intermediate Similarity NPC213528
0.8381 Intermediate Similarity NPC166079
0.8381 Intermediate Similarity NPC306776
0.83 Intermediate Similarity NPC470424
0.8286 Intermediate Similarity NPC100078
0.8163 Intermediate Similarity NPC471221
0.8155 Intermediate Similarity NPC253995
0.8137 Intermediate Similarity NPC116683
0.8131 Intermediate Similarity NPC176756
0.8108 Intermediate Similarity NPC470116
0.8108 Intermediate Similarity NPC470115
0.8056 Intermediate Similarity NPC167044
0.8037 Intermediate Similarity NPC168890
0.802 Intermediate Similarity NPC476189
0.7982 Intermediate Similarity NPC217041
0.7981 Intermediate Similarity NPC211087
0.7959 Intermediate Similarity NPC476717
0.7909 Intermediate Similarity NPC475463
0.7909 Intermediate Similarity NPC182185
0.789 Intermediate Similarity NPC220773
0.789 Intermediate Similarity NPC278693
0.7876 Intermediate Similarity NPC475490
0.785 Intermediate Similarity NPC471253
0.785 Intermediate Similarity NPC473406
0.7835 Intermediate Similarity NPC157328
0.783 Intermediate Similarity NPC298266
0.783 Intermediate Similarity NPC259654
0.7798 Intermediate Similarity NPC469788
0.7798 Intermediate Similarity NPC469787
0.7798 Intermediate Similarity NPC290247
0.7788 Intermediate Similarity NPC79193
0.7778 Intermediate Similarity NPC154962
0.7778 Intermediate Similarity NPC177518
0.7778 Intermediate Similarity NPC169089
0.7778 Intermediate Similarity NPC88890
0.7778 Intermediate Similarity NPC123070
0.7778 Intermediate Similarity NPC18433
0.7778 Intermediate Similarity NPC18044
0.7778 Intermediate Similarity NPC132304
0.7778 Intermediate Similarity NPC114365
0.7768 Intermediate Similarity NPC98870
0.7757 Intermediate Similarity NPC470172
0.7755 Intermediate Similarity NPC65133
0.7755 Intermediate Similarity NPC291310
0.7723 Intermediate Similarity NPC477443
0.7723 Intermediate Similarity NPC477440
0.7712 Intermediate Similarity NPC129992
0.7706 Intermediate Similarity NPC228311
0.7706 Intermediate Similarity NPC41674
0.7706 Intermediate Similarity NPC469441
0.767 Intermediate Similarity NPC472238
0.767 Intermediate Similarity NPC472237
0.7653 Intermediate Similarity NPC2572
0.7653 Intermediate Similarity NPC29342
0.7647 Intermediate Similarity NPC477433
0.7647 Intermediate Similarity NPC477444
0.7647 Intermediate Similarity NPC477442
0.7624 Intermediate Similarity NPC476435
0.7615 Intermediate Similarity NPC88469
0.76 Intermediate Similarity NPC64862
0.7593 Intermediate Similarity NPC471254
0.7593 Intermediate Similarity NPC292803
0.7576 Intermediate Similarity NPC477434
0.7568 Intermediate Similarity NPC329876
0.7549 Intermediate Similarity NPC61688
0.7549 Intermediate Similarity NPC200580
0.7547 Intermediate Similarity NPC328180
0.7547 Intermediate Similarity NPC278028
0.7547 Intermediate Similarity NPC471241
0.7525 Intermediate Similarity NPC239938
0.7524 Intermediate Similarity NPC21897
0.7524 Intermediate Similarity NPC62407
0.7524 Intermediate Similarity NPC287354
0.75 Intermediate Similarity NPC473350
0.75 Intermediate Similarity NPC476715
0.75 Intermediate Similarity NPC178853
0.7477 Intermediate Similarity NPC274695
0.7477 Intermediate Similarity NPC292775
0.7476 Intermediate Similarity NPC470114
0.7455 Intermediate Similarity NPC470167
0.7453 Intermediate Similarity NPC475765
0.7453 Intermediate Similarity NPC476728
0.7453 Intermediate Similarity NPC193785
0.7451 Intermediate Similarity NPC477614
0.7451 Intermediate Similarity NPC226491
0.7429 Intermediate Similarity NPC329713
0.7429 Intermediate Similarity NPC477495
0.7429 Intermediate Similarity NPC76136
0.7429 Intermediate Similarity NPC217567
0.7426 Intermediate Similarity NPC472272
0.7407 Intermediate Similarity NPC108371
0.7404 Intermediate Similarity NPC52756
0.7404 Intermediate Similarity NPC216137
0.7398 Intermediate Similarity NPC475371
0.7368 Intermediate Similarity NPC469824
0.7368 Intermediate Similarity NPC473062
0.7364 Intermediate Similarity NPC469350
0.7358 Intermediate Similarity NPC17336
0.735 Intermediate Similarity NPC179429
0.735 Intermediate Similarity NPC475238
0.7347 Intermediate Similarity NPC134227
0.7339 Intermediate Similarity NPC162024
0.7333 Intermediate Similarity NPC256104
0.7333 Intermediate Similarity NPC35164
0.7333 Intermediate Similarity NPC211845
0.7333 Intermediate Similarity NPC472232
0.7333 Intermediate Similarity NPC122083
0.7333 Intermediate Similarity NPC472231
0.7333 Intermediate Similarity NPC182740
0.7327 Intermediate Similarity NPC478111
0.7308 Intermediate Similarity NPC77756
0.73 Intermediate Similarity NPC69953
0.73 Intermediate Similarity NPC476721
0.7297 Intermediate Similarity NPC327093
0.7297 Intermediate Similarity NPC469629
0.729 Intermediate Similarity NPC475785
0.729 Intermediate Similarity NPC145553
0.7288 Intermediate Similarity NPC475372
0.7282 Intermediate Similarity NPC201607
0.7282 Intermediate Similarity NPC221993
0.7282 Intermediate Similarity NPC191221
0.7282 Intermediate Similarity NPC470009
0.7282 Intermediate Similarity NPC56777
0.7281 Intermediate Similarity NPC474923
0.7281 Intermediate Similarity NPC48305
0.7273 Intermediate Similarity NPC469352
0.7264 Intermediate Similarity NPC206878
0.7264 Intermediate Similarity NPC470423
0.7255 Intermediate Similarity NPC477441
0.7255 Intermediate Similarity NPC80700
0.7241 Intermediate Similarity NPC97002
0.7241 Intermediate Similarity NPC285086
0.7238 Intermediate Similarity NPC475878
0.7238 Intermediate Similarity NPC473066
0.7228 Intermediate Similarity NPC471044
0.7228 Intermediate Similarity NPC473336
0.7227 Intermediate Similarity NPC312536
0.7222 Intermediate Similarity NPC472273
0.7222 Intermediate Similarity NPC253586
0.7217 Intermediate Similarity NPC472003
0.7212 Intermediate Similarity NPC67653
0.7212 Intermediate Similarity NPC471459
0.7212 Intermediate Similarity NPC56962
0.7212 Intermediate Similarity NPC24705
0.7203 Intermediate Similarity NPC473656
0.72 Intermediate Similarity NPC311642
0.72 Intermediate Similarity NPC102156
0.72 Intermediate Similarity NPC242771
0.72 Intermediate Similarity NPC148740
0.72 Intermediate Similarity NPC212340
0.72 Intermediate Similarity NPC164289
0.72 Intermediate Similarity NPC100366
0.7182 Intermediate Similarity NPC39683
0.7179 Intermediate Similarity NPC300051
0.7172 Intermediate Similarity NPC474714
0.717 Intermediate Similarity NPC161035
0.7157 Intermediate Similarity NPC477445
0.7156 Intermediate Similarity NPC472144
0.7155 Intermediate Similarity NPC477489
0.7143 Intermediate Similarity NPC42206
0.713 Intermediate Similarity NPC98633
0.713 Intermediate Similarity NPC235109
0.7129 Intermediate Similarity NPC15091
0.7105 Intermediate Similarity NPC469826
0.71 Intermediate Similarity NPC58631
0.71 Intermediate Similarity NPC254123
0.7094 Intermediate Similarity NPC102619
0.7094 Intermediate Similarity NPC52634
0.7087 Intermediate Similarity NPC302111
0.7087 Intermediate Similarity NPC114378
0.7087 Intermediate Similarity NPC103782
0.7087 Intermediate Similarity NPC215968
0.7087 Intermediate Similarity NPC155531
0.7087 Intermediate Similarity NPC477283
0.708 Intermediate Similarity NPC215408
0.708 Intermediate Similarity NPC200957
0.708 Intermediate Similarity NPC295366
0.708 Intermediate Similarity NPC138908
0.708 Intermediate Similarity NPC37600
0.7069 Intermediate Similarity NPC94650
0.7069 Intermediate Similarity NPC471251
0.7064 Intermediate Similarity NPC472145
0.7064 Intermediate Similarity NPC266417
0.7059 Intermediate Similarity NPC473299
0.7059 Intermediate Similarity NPC475323
0.7059 Intermediate Similarity NPC50438
0.7054 Intermediate Similarity NPC107385
0.7054 Intermediate Similarity NPC87927
0.7054 Intermediate Similarity NPC122811
0.7041 Intermediate Similarity NPC307865
0.7037 Intermediate Similarity NPC82633
0.7037 Intermediate Similarity NPC470031
0.7037 Intermediate Similarity NPC470191
0.7037 Intermediate Similarity NPC215570
0.7037 Intermediate Similarity NPC305808
0.7034 Intermediate Similarity NPC123117
0.7034 Intermediate Similarity NPC471382

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473701 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
0.835 Intermediate Similarity NPD1700 Approved
0.7778 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.6991 Remote Similarity NPD8170 Clinical (unspecified phase)
0.68 Remote Similarity NPD6697 Approved
0.68 Remote Similarity NPD6114 Approved
0.68 Remote Similarity NPD6115 Approved
0.68 Remote Similarity NPD6118 Approved
0.67 Remote Similarity NPD6116 Phase 1
0.6693 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7492 Approved
0.6614 Remote Similarity NPD6616 Approved
0.6613 Remote Similarity NPD6059 Approved
0.6613 Remote Similarity NPD6054 Approved
0.6613 Remote Similarity NPD6319 Approved
0.66 Remote Similarity NPD6117 Approved
0.6562 Remote Similarity NPD8293 Discontinued
0.6512 Remote Similarity NPD7736 Approved
0.6508 Remote Similarity NPD6370 Approved
0.65 Remote Similarity NPD3702 Approved
0.6471 Remote Similarity NPD6372 Approved
0.6471 Remote Similarity NPD6373 Approved
0.6462 Remote Similarity NPD7319 Approved
0.6446 Remote Similarity NPD8297 Approved
0.6429 Remote Similarity NPD6016 Approved
0.6429 Remote Similarity NPD6015 Approved
0.64 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6392 Remote Similarity NPD229 Approved
0.6387 Remote Similarity NPD7320 Approved
0.6378 Remote Similarity NPD5988 Approved
0.6364 Remote Similarity NPD6650 Approved
0.6364 Remote Similarity NPD6649 Approved
0.6357 Remote Similarity NPD7507 Approved
0.6356 Remote Similarity NPD6008 Approved
0.6356 Remote Similarity NPD6675 Approved
0.6356 Remote Similarity NPD7128 Approved
0.6356 Remote Similarity NPD6402 Approved
0.6356 Remote Similarity NPD5739 Approved
0.6337 Remote Similarity NPD3703 Phase 2
0.626 Remote Similarity NPD4632 Approved
0.625 Remote Similarity NPD8171 Discontinued
0.625 Remote Similarity NPD6881 Approved
0.625 Remote Similarity NPD6899 Approved
0.619 Remote Similarity NPD6928 Phase 2
0.6179 Remote Similarity NPD6882 Approved
0.6172 Remote Similarity NPD6921 Approved
0.6167 Remote Similarity NPD5697 Approved
0.6167 Remote Similarity NPD5701 Approved
0.6161 Remote Similarity NPD8035 Phase 2
0.6161 Remote Similarity NPD8034 Phase 2
0.6154 Remote Similarity NPD4238 Approved
0.6154 Remote Similarity NPD4802 Phase 2
0.6148 Remote Similarity NPD7102 Approved
0.6148 Remote Similarity NPD6883 Approved
0.6148 Remote Similarity NPD7290 Approved
0.6136 Remote Similarity NPD6033 Approved
0.6129 Remote Similarity NPD8133 Approved
0.6111 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6009 Approved
0.6098 Remote Similarity NPD6617 Approved
0.6098 Remote Similarity NPD8130 Phase 1
0.6098 Remote Similarity NPD6847 Approved
0.6098 Remote Similarity NPD6869 Approved
0.6082 Remote Similarity NPD9496 Clinical (unspecified phase)
0.6077 Remote Similarity NPD7604 Phase 2
0.6066 Remote Similarity NPD6013 Approved
0.6066 Remote Similarity NPD6014 Approved
0.6066 Remote Similarity NPD6012 Approved
0.6048 Remote Similarity NPD6053 Discontinued
0.6047 Remote Similarity NPD5983 Phase 2
0.604 Remote Similarity NPD4808 Clinical (unspecified phase)
0.604 Remote Similarity NPD5777 Approved
0.604 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6033 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6019 Remote Similarity NPD3669 Approved
0.6016 Remote Similarity NPD4634 Approved
0.6016 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5985 Remote Similarity NPD6336 Discontinued
0.5984 Remote Similarity NPD6011 Approved
0.5981 Remote Similarity NPD1780 Approved
0.5981 Remote Similarity NPD1779 Approved
0.5968 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5941 Remote Similarity NPD4245 Approved
0.5941 Remote Similarity NPD4244 Approved
0.5938 Remote Similarity NPD7327 Approved
0.5938 Remote Similarity NPD7328 Approved
0.5935 Remote Similarity NPD8132 Clinical (unspecified phase)
0.5935 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5909 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5897 Remote Similarity NPD4755 Approved
0.5891 Remote Similarity NPD7516 Approved
0.5887 Remote Similarity NPD6371 Approved
0.5859 Remote Similarity NPD7115 Discovery
0.5847 Remote Similarity NPD7638 Approved
0.5842 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5842 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5842 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5842 Remote Similarity NPD3698 Phase 2
0.5833 Remote Similarity NPD8328 Phase 3
0.5826 Remote Similarity NPD6399 Phase 3
0.5802 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5802 Remote Similarity NPD8033 Approved
0.5798 Remote Similarity NPD7639 Approved
0.5798 Remote Similarity NPD4700 Approved
0.5798 Remote Similarity NPD7640 Approved
0.5798 Remote Similarity NPD5286 Approved
0.5798 Remote Similarity NPD4696 Approved
0.5798 Remote Similarity NPD5285 Approved
0.5784 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5781 Remote Similarity NPD6274 Approved
0.5781 Remote Similarity NPD6940 Discontinued
0.578 Remote Similarity NPD6435 Approved
0.5772 Remote Similarity NPD6412 Phase 2
0.5772 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5769 Remote Similarity NPD7101 Approved
0.5769 Remote Similarity NPD7100 Approved
0.5763 Remote Similarity NPD6083 Phase 2
0.5763 Remote Similarity NPD6084 Phase 2
0.5758 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5743 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5743 Remote Similarity NPD5360 Phase 3
0.5729 Remote Similarity NPD3198 Approved
0.5728 Remote Similarity NPD6081 Approved
0.5726 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5725 Remote Similarity NPD8294 Approved
0.5725 Remote Similarity NPD8377 Approved
0.5702 Remote Similarity NPD4633 Approved
0.5702 Remote Similarity NPD5224 Approved
0.5702 Remote Similarity NPD5211 Phase 2
0.5702 Remote Similarity NPD5226 Approved
0.5702 Remote Similarity NPD7632 Discontinued
0.5702 Remote Similarity NPD5225 Approved
0.5692 Remote Similarity NPD6335 Approved
0.5691 Remote Similarity NPD4768 Approved
0.5691 Remote Similarity NPD4767 Approved
0.5682 Remote Similarity NPD8378 Approved
0.5682 Remote Similarity NPD6909 Approved
0.5682 Remote Similarity NPD8335 Approved
0.5682 Remote Similarity NPD8296 Approved
0.5682 Remote Similarity NPD8380 Approved
0.5682 Remote Similarity NPD8379 Approved
0.5682 Remote Similarity NPD6908 Approved
0.5667 Remote Similarity NPD8418 Phase 2
0.5656 Remote Similarity NPD5175 Approved
0.5656 Remote Similarity NPD5174 Approved
0.5631 Remote Similarity NPD4789 Approved
0.562 Remote Similarity NPD5223 Approved
0.5615 Remote Similarity NPD6317 Approved
0.561 Remote Similarity NPD5141 Approved
0.56 Remote Similarity NPD4729 Approved
0.56 Remote Similarity NPD4730 Approved

Structure

External Identifiers

PubChem CID   44567835
ChEMBL   CHEMBL449620
ZINC  

Physicochemical Properties

Molecular Weight:  576.29
ALogP:  -0.5757
MLogP:  3.77
XLogP:  2.269
# Rotatable Bonds:  11
Polar Surface Area:  137.82
# H-Bond Aceptor:  10
# H-Bond Donor:  2
# Rings:  7
# Heavy Atoms:  41

Download Data

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