Natural Product: NPC312536

Natural Product ID:  NPC312536
Common Name:   Kadcoccilactone B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C29H42O7
Standard InCHIKey:  UCYIJPSZTKEWLZ-CAQIMXKKSA-N
Standard InCHI:  InChI=1S/C29H42O7/c1-16-6-7-19(34-24(16)31)17(2)18-10-11-29(33)21-9-8-20-25(3,4)35-22-14-23(30)36-28(20,22)15-27(21,32)13-12-26(18,29)5/h6,17-22,32-33H,7-15H2,1-5H3/t17-,18-,19-,20-,21+,22+,26+,27-,28+,29-/m0/s1
Canonical SMILES:  O=C1C[C@@H]2[C@@]3(O1)C[C@@]1(O)CC[C@]4([C@]([C@@H]1CC[C@H]3C(O2)(C)C)(O)CC[C@H]4[C@@H]([C@@H]1CC=C(C(=O)O1)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
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
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 100 ug/ml 9392889
NPT111 Cell Line K562 Homo sapiens IC50 > 100 ug/ml 12502331
NPT81 Cell Line A549 Homo sapiens IC50 > 100 ug/ml 20624681
NPT81 Cell Line A549 Homo sapiens IC > 100 ug/ml 25437304
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 100 ug/ml 19489596
NPT111 Cell Line K562 Homo sapiens IC50 > 100 ug/ml PubChem BioAssay data set

  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 NPC312536 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
0.9908 High Similarity NPC475372
0.9636 High Similarity NPC473656
0.9138 High Similarity NPC129992
0.9018 High Similarity NPC473535
0.8947 High Similarity NPC475323
0.8655 High Similarity NPC469352
0.8607 High Similarity NPC475371
0.8559 High Similarity NPC143755
0.8547 High Similarity NPC288679
0.8475 Intermediate Similarity NPC472667
0.8448 Intermediate Similarity NPC123117
0.8421 Intermediate Similarity NPC179642
0.8403 Intermediate Similarity NPC4548
0.8403 Intermediate Similarity NPC474585
0.8376 Intermediate Similarity NPC470793
0.8374 Intermediate Similarity NPC470850
0.8362 Intermediate Similarity NPC470120
0.8333 Intermediate Similarity NPC46570
0.8333 Intermediate Similarity NPC67569
0.8319 Intermediate Similarity NPC469380
0.8306 Intermediate Similarity NPC231529
0.8304 Intermediate Similarity NPC146731
0.8304 Intermediate Similarity NPC294259
0.8293 Intermediate Similarity NPC287423
0.8279 Intermediate Similarity NPC8374
0.8279 Intermediate Similarity NPC8369
0.8276 Intermediate Similarity NPC269530
0.8264 Intermediate Similarity NPC23786
0.8264 Intermediate Similarity NPC269642
0.8264 Intermediate Similarity NPC170538
0.8264 Intermediate Similarity NPC107493
0.8264 Intermediate Similarity NPC470265
0.825 Intermediate Similarity NPC474370
0.825 Intermediate Similarity NPC472004
0.8246 Intermediate Similarity NPC255082
0.8235 Intermediate Similarity NPC159928
0.8235 Intermediate Similarity NPC153440
0.822 Intermediate Similarity NPC190286
0.822 Intermediate Similarity NPC106228
0.822 Intermediate Similarity NPC469794
0.822 Intermediate Similarity NPC72772
0.822 Intermediate Similarity NPC138372
0.8211 Intermediate Similarity NPC293112
0.8211 Intermediate Similarity NPC473635
0.8205 Intermediate Similarity NPC9848
0.8205 Intermediate Similarity NPC477126
0.8205 Intermediate Similarity NPC312017
0.8197 Intermediate Similarity NPC469789
0.8197 Intermediate Similarity NPC11895
0.8189 Intermediate Similarity NPC476823
0.8182 Intermediate Similarity NPC310511
0.8175 Intermediate Similarity NPC34963
0.8167 Intermediate Similarity NPC264954
0.8167 Intermediate Similarity NPC230513
0.8167 Intermediate Similarity NPC475520
0.8167 Intermediate Similarity NPC475041
0.8167 Intermediate Similarity NPC5292
0.816 Intermediate Similarity NPC35109
0.816 Intermediate Similarity NPC473593
0.816 Intermediate Similarity NPC470851
0.8158 Intermediate Similarity NPC67321
0.8158 Intermediate Similarity NPC187435
0.8151 Intermediate Similarity NPC469684
0.8142 Intermediate Similarity NPC296950
0.8136 Intermediate Similarity NPC43213
0.8136 Intermediate Similarity NPC216665
0.8136 Intermediate Similarity NPC90472
0.813 Intermediate Similarity NPC81736
0.813 Intermediate Similarity NPC172154
0.8125 Intermediate Similarity NPC476081
0.812 Intermediate Similarity NPC470063
0.812 Intermediate Similarity NPC23967
0.8115 Intermediate Similarity NPC88326
0.8115 Intermediate Similarity NPC153700
0.811 Intermediate Similarity NPC469673
0.811 Intermediate Similarity NPC58029
0.8108 Intermediate Similarity NPC47024
0.8103 Intermediate Similarity NPC474923
0.8103 Intermediate Similarity NPC48305
0.8099 Intermediate Similarity NPC79579
0.8095 Intermediate Similarity NPC196921
0.8095 Intermediate Similarity NPC241935
0.8095 Intermediate Similarity NPC220757
0.8095 Intermediate Similarity NPC279478
0.8083 Intermediate Similarity NPC709
0.8083 Intermediate Similarity NPC50774
0.8067 Intermediate Similarity NPC154363
0.8067 Intermediate Similarity NPC471127
0.8067 Intermediate Similarity NPC234858
0.8067 Intermediate Similarity NPC470075
0.8053 Intermediate Similarity NPC36688
0.8053 Intermediate Similarity NPC168575
0.8053 Intermediate Similarity NPC474775
0.8049 Intermediate Similarity NPC471392
0.8049 Intermediate Similarity NPC472399
0.8049 Intermediate Similarity NPC473979
0.8049 Intermediate Similarity NPC204812
0.8049 Intermediate Similarity NPC469382
0.8034 Intermediate Similarity NPC469655
0.8034 Intermediate Similarity NPC474846
0.8034 Intermediate Similarity NPC470076
0.8034 Intermediate Similarity NPC469656
0.8031 Intermediate Similarity NPC472769
0.8018 Intermediate Similarity NPC216478
0.8017 Intermediate Similarity NPC472216
0.8017 Intermediate Similarity NPC42673
0.8017 Intermediate Similarity NPC305260
0.8017 Intermediate Similarity NPC42662
0.8017 Intermediate Similarity NPC273433
0.8017 Intermediate Similarity NPC270850
0.8017 Intermediate Similarity NPC284828
0.8017 Intermediate Similarity NPC173905
0.8017 Intermediate Similarity NPC5475
0.8017 Intermediate Similarity NPC9674
0.8017 Intermediate Similarity NPC19028
0.8016 Intermediate Similarity NPC472770
0.8 Intermediate Similarity NPC117702
0.8 Intermediate Similarity NPC26617
0.8 Intermediate Similarity NPC470492
0.8 Intermediate Similarity NPC286528
0.8 Intermediate Similarity NPC36754
0.8 Intermediate Similarity NPC53396
0.8 Intermediate Similarity NPC20302
0.8 Intermediate Similarity NPC471357
0.8 Intermediate Similarity NPC140055
0.8 Intermediate Similarity NPC98249
0.8 Intermediate Similarity NPC42399
0.8 Intermediate Similarity NPC10721
0.8 Intermediate Similarity NPC146456
0.8 Intermediate Similarity NPC475238
0.8 Intermediate Similarity NPC58662
0.8 Intermediate Similarity NPC469757
0.8 Intermediate Similarity NPC167606
0.8 Intermediate Similarity NPC302788
0.7984 Intermediate Similarity NPC86346
0.7984 Intermediate Similarity NPC241456
0.7984 Intermediate Similarity NPC469379
0.7984 Intermediate Similarity NPC32868
0.7984 Intermediate Similarity NPC469790
0.7984 Intermediate Similarity NPC75856
0.7983 Intermediate Similarity NPC67259
0.7983 Intermediate Similarity NPC147912
0.7983 Intermediate Similarity NPC178289
0.7983 Intermediate Similarity NPC471380
0.7983 Intermediate Similarity NPC238667
0.7983 Intermediate Similarity NPC474181
0.7982 Intermediate Similarity NPC473577
0.7982 Intermediate Similarity NPC475585
0.7982 Intermediate Similarity NPC474550
0.7969 Intermediate Similarity NPC88668
0.7967 Intermediate Similarity NPC222688
0.7967 Intermediate Similarity NPC287236
0.7966 Intermediate Similarity NPC236217
0.7966 Intermediate Similarity NPC191620
0.7965 Intermediate Similarity NPC86077
0.7965 Intermediate Similarity NPC22388
0.7953 Intermediate Similarity NPC473838
0.7953 Intermediate Similarity NPC475389
0.7951 Intermediate Similarity NPC145074
0.7951 Intermediate Similarity NPC157252
0.7951 Intermediate Similarity NPC471126
0.7951 Intermediate Similarity NPC114939
0.7951 Intermediate Similarity NPC251226
0.7951 Intermediate Similarity NPC145182
0.7951 Intermediate Similarity NPC154491
0.7951 Intermediate Similarity NPC471128
0.7951 Intermediate Similarity NPC268530
0.7951 Intermediate Similarity NPC41123
0.7949 Intermediate Similarity NPC475134
0.7949 Intermediate Similarity NPC475563
0.7949 Intermediate Similarity NPC235014
0.7946 Intermediate Similarity NPC476303
0.7937 Intermediate Similarity NPC311534
0.7937 Intermediate Similarity NPC473620
0.7937 Intermediate Similarity NPC473888
0.7934 Intermediate Similarity NPC186525
0.7934 Intermediate Similarity NPC470420
0.7934 Intermediate Similarity NPC475913
0.7934 Intermediate Similarity NPC284707
0.7934 Intermediate Similarity NPC161060
0.7934 Intermediate Similarity NPC124676
0.7934 Intermediate Similarity NPC146280
0.7934 Intermediate Similarity NPC473720
0.7931 Intermediate Similarity NPC475418
0.7931 Intermediate Similarity NPC306265
0.7931 Intermediate Similarity NPC318363
0.7931 Intermediate Similarity NPC94377
0.7931 Intermediate Similarity NPC473482
0.7928 Intermediate Similarity NPC170143
0.7928 Intermediate Similarity NPC108475
0.7928 Intermediate Similarity NPC73911
0.7928 Intermediate Similarity NPC213947
0.792 Intermediate Similarity NPC15095
0.7917 Intermediate Similarity NPC196931
0.7917 Intermediate Similarity NPC270478
0.7917 Intermediate Similarity NPC49492
0.7917 Intermediate Similarity NPC64318
0.7917 Intermediate Similarity NPC176840
0.7917 Intermediate Similarity NPC266728
0.7913 Intermediate Similarity NPC119855

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC312536 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
0.8 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD7115 Discovery
0.7874 Intermediate Similarity NPD7319 Approved
0.7797 Intermediate Similarity NPD6371 Approved
0.7717 Intermediate Similarity NPD7078 Approved
0.7699 Intermediate Similarity NPD7638 Approved
0.7699 Intermediate Similarity NPD4225 Approved
0.7698 Intermediate Similarity NPD7492 Approved
0.7667 Intermediate Similarity NPD6053 Discontinued
0.7661 Intermediate Similarity NPD6054 Approved
0.7638 Intermediate Similarity NPD6616 Approved
0.7638 Intermediate Similarity NPD7507 Approved
0.7632 Intermediate Similarity NPD7640 Approved
0.7632 Intermediate Similarity NPD7639 Approved
0.7607 Intermediate Similarity NPD6008 Approved
0.754 Intermediate Similarity NPD6370 Approved
0.752 Intermediate Similarity NPD6059 Approved
0.752 Intermediate Similarity NPD6319 Approved
0.7519 Intermediate Similarity NPD7736 Approved
0.75 Intermediate Similarity NPD7327 Approved
0.75 Intermediate Similarity NPD7328 Approved
0.746 Intermediate Similarity NPD6015 Approved
0.746 Intermediate Similarity NPD6016 Approved
0.7442 Intermediate Similarity NPD8293 Discontinued
0.744 Intermediate Similarity NPD7516 Approved
0.7402 Intermediate Similarity NPD5988 Approved
0.7377 Intermediate Similarity NPD8297 Approved
0.7355 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD6881 Approved
0.7333 Intermediate Similarity NPD6899 Approved
0.7333 Intermediate Similarity NPD7320 Approved
0.7323 Intermediate Similarity NPD8033 Approved
0.7323 Intermediate Similarity NPD8379 Approved
0.7323 Intermediate Similarity NPD8296 Approved
0.7323 Intermediate Similarity NPD8378 Approved
0.7323 Intermediate Similarity NPD8380 Approved
0.7323 Intermediate Similarity NPD8335 Approved
0.7317 Intermediate Similarity NPD4632 Approved
0.7311 Intermediate Similarity NPD6402 Approved
0.7311 Intermediate Similarity NPD7128 Approved
0.7311 Intermediate Similarity NPD5739 Approved
0.7311 Intermediate Similarity NPD6675 Approved
0.7295 Intermediate Similarity NPD6649 Approved
0.7295 Intermediate Similarity NPD6650 Approved
0.7273 Intermediate Similarity NPD6373 Approved
0.7273 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD6372 Approved
0.725 Intermediate Similarity NPD5697 Approved
0.7244 Intermediate Similarity NPD8294 Approved
0.7244 Intermediate Similarity NPD8377 Approved
0.7213 Intermediate Similarity NPD7102 Approved
0.7213 Intermediate Similarity NPD6883 Approved
0.7213 Intermediate Similarity NPD7290 Approved
0.719 Intermediate Similarity NPD6686 Approved
0.7188 Intermediate Similarity NPD7503 Approved
0.7154 Intermediate Similarity NPD8130 Phase 1
0.7154 Intermediate Similarity NPD6617 Approved
0.7154 Intermediate Similarity NPD6869 Approved
0.7154 Intermediate Similarity NPD6847 Approved
0.7143 Intermediate Similarity NPD6009 Approved
0.7143 Intermediate Similarity NPD1695 Approved
0.7131 Intermediate Similarity NPD6014 Approved
0.7131 Intermediate Similarity NPD6012 Approved
0.7131 Intermediate Similarity NPD6013 Approved
0.713 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD5701 Approved
0.7105 Intermediate Similarity NPD6399 Phase 3
0.7097 Intermediate Similarity NPD6882 Approved
0.708 Intermediate Similarity NPD5785 Approved
0.7077 Intermediate Similarity NPD7604 Phase 2
0.7073 Intermediate Similarity NPD4634 Approved
0.7059 Intermediate Similarity NPD7632 Discontinued
0.7054 Intermediate Similarity NPD5983 Phase 2
0.7049 Intermediate Similarity NPD6011 Approved
0.7049 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD6084 Phase 2
0.7009 Intermediate Similarity NPD6083 Phase 2
0.6992 Remote Similarity NPD6033 Approved
0.6983 Remote Similarity NPD5695 Phase 3
0.6975 Remote Similarity NPD1700 Approved
0.6975 Remote Similarity NPD5344 Discontinued
0.697 Remote Similarity NPD6336 Discontinued
0.6967 Remote Similarity NPD6412 Phase 2
0.6949 Remote Similarity NPD5696 Approved
0.6917 Remote Similarity NPD5211 Phase 2
0.6891 Remote Similarity NPD5286 Approved
0.6891 Remote Similarity NPD6648 Approved
0.6891 Remote Similarity NPD5285 Approved
0.6891 Remote Similarity NPD4696 Approved
0.688 Remote Similarity NPD6401 Clinical (unspecified phase)
0.687 Remote Similarity NPD7637 Suspended
0.6864 Remote Similarity NPD4755 Approved
0.681 Remote Similarity NPD4202 Approved
0.6803 Remote Similarity NPD5141 Approved
0.6797 Remote Similarity NPD6274 Approved
0.6794 Remote Similarity NPD8513 Phase 3
0.6794 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6786 Remote Similarity NPD1694 Approved
0.6783 Remote Similarity NPD46 Approved
0.6783 Remote Similarity NPD6698 Approved
0.6777 Remote Similarity NPD4633 Approved
0.6777 Remote Similarity NPD5224 Approved
0.6777 Remote Similarity NPD5226 Approved
0.6777 Remote Similarity NPD5225 Approved
0.6772 Remote Similarity NPD8133 Approved
0.6769 Remote Similarity NPD7100 Approved
0.6769 Remote Similarity NPD7101 Approved
0.6754 Remote Similarity NPD6903 Approved
0.6752 Remote Similarity NPD5282 Discontinued
0.6752 Remote Similarity NPD6001 Approved
0.675 Remote Similarity NPD4700 Approved
0.6726 Remote Similarity NPD6684 Approved
0.6726 Remote Similarity NPD7334 Approved
0.6726 Remote Similarity NPD6409 Approved
0.6726 Remote Similarity NPD7521 Approved
0.6726 Remote Similarity NPD5330 Approved
0.6726 Remote Similarity NPD7146 Approved
0.6726 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6724 Remote Similarity NPD5284 Approved
0.6724 Remote Similarity NPD5693 Phase 1
0.6724 Remote Similarity NPD8034 Phase 2
0.6724 Remote Similarity NPD5281 Approved
0.6724 Remote Similarity NPD8035 Phase 2
0.6723 Remote Similarity NPD7902 Approved
0.6721 Remote Similarity NPD5174 Approved
0.6721 Remote Similarity NPD5175 Approved
0.6694 Remote Similarity NPD5223 Approved
0.6692 Remote Similarity NPD6335 Approved
0.6692 Remote Similarity NPD6067 Discontinued
0.6667 Remote Similarity NPD8517 Approved
0.6667 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8515 Approved
0.6667 Remote Similarity NPD8516 Approved
0.6642 Remote Similarity NPD5956 Approved
0.6638 Remote Similarity NPD5207 Approved
0.6637 Remote Similarity NPD5363 Approved
0.6615 Remote Similarity NPD6317 Approved
0.661 Remote Similarity NPD7748 Approved
0.6609 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6594 Remote Similarity NPD7260 Phase 2
0.6581 Remote Similarity NPD6079 Approved
0.6579 Remote Similarity NPD3618 Phase 1
0.6567 Remote Similarity NPD8328 Phase 3
0.6565 Remote Similarity NPD6313 Approved
0.6565 Remote Similarity NPD6314 Approved
0.6555 Remote Similarity NPD5210 Approved
0.6555 Remote Similarity NPD4629 Approved
0.6552 Remote Similarity NPD4753 Phase 2
0.6552 Remote Similarity NPD6904 Approved
0.6552 Remote Similarity NPD6051 Approved
0.6552 Remote Similarity NPD6673 Approved
0.6552 Remote Similarity NPD5328 Approved
0.6552 Remote Similarity NPD6080 Approved
0.6547 Remote Similarity NPD6845 Suspended
0.6541 Remote Similarity NPD6909 Approved
0.6541 Remote Similarity NPD6908 Approved
0.6525 Remote Similarity NPD5778 Approved
0.6525 Remote Similarity NPD5779 Approved
0.6522 Remote Similarity NPD4250 Approved
0.6522 Remote Similarity NPD4251 Approved
0.6508 Remote Similarity NPD4729 Approved
0.6508 Remote Similarity NPD4730 Approved
0.6508 Remote Similarity NPD5128 Approved
0.6491 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6484 Remote Similarity NPD8413 Clinical (unspecified phase)
0.648 Remote Similarity NPD4767 Approved
0.648 Remote Similarity NPD4768 Approved
0.6471 Remote Similarity NPD7900 Approved
0.6471 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6466 Remote Similarity NPD6672 Approved
0.6466 Remote Similarity NPD5737 Approved
0.646 Remote Similarity NPD5362 Discontinued
0.6452 Remote Similarity NPD4754 Approved
0.6441 Remote Similarity NPD7515 Phase 2
0.6441 Remote Similarity NPD6050 Approved
0.6435 Remote Similarity NPD4249 Approved
0.6429 Remote Similarity NPD5369 Approved
0.6423 Remote Similarity NPD8074 Phase 3
0.6418 Remote Similarity NPD6921 Approved
0.6406 Remote Similarity NPD5247 Approved
0.6406 Remote Similarity NPD5248 Approved
0.6406 Remote Similarity NPD5251 Approved
0.6406 Remote Similarity NPD5250 Approved
0.6406 Remote Similarity NPD5249 Phase 3
0.6404 Remote Similarity NPD3665 Phase 1
0.6404 Remote Similarity NPD3666 Approved
0.6404 Remote Similarity NPD4786 Approved
0.6404 Remote Similarity NPD3133 Approved
0.6404 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6393 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6379 Remote Similarity NPD7524 Approved
0.6372 Remote Similarity NPD4269 Approved
0.6372 Remote Similarity NPD4223 Phase 3
0.6372 Remote Similarity NPD4221 Approved
0.6372 Remote Similarity NPD4270 Approved
0.6364 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6364 Remote Similarity NPD5221 Approved
0.6364 Remote Similarity NPD5222 Approved

Structure

External Identifiers

PubChem CID   24970757
ChEMBL   CHEMBL450996
ZINC  

Physicochemical Properties

Molecular Weight:  502.29
ALogP:  0.7482
MLogP:  3.88
XLogP:  3.378
# Rotatable Bonds:  9
Polar Surface Area:  102.29
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  36

Download Data

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