Natural Product: NPC473656

Natural Product ID:  NPC473656
Common Name:   Kadcoccilactone C
IUPAC Name:  
Synonyms:   Kadcoccilactone C
Molecular Formula:   C30H44O7
Standard InCHIKey:  HHTXECUEDFYGHX-NAQFNSOCSA-N
Standard InCHI:  InChI=1S/C30H44O7/c1-17-6-7-20(35-25(17)33)18(2)19-10-11-28(16-31)22-9-8-21-26(3,4)36-23-14-24(32)37-30(21,23)15-29(22,34)13-12-27(19,28)5/h6,18-23,31,34H,7-16H2,1-5H3/t18-,19-,20-,21-,22-,23+,27+,28+,29-,30+/m0/s1
Canonical SMILES:  OC[C@]12CC[C@H]([C@@]2(C)CC[C@]2([C@H]1CC[C@@H]1[C@@]3(C2)OC(=O)C[C@H]3OC1(C)C)O)[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
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 = 53.3 ug/ml 17321746
NPT81 Cell Line A549 Homo sapiens IC50 > 100 ug/ml 9322358
NPT181 Cell Line Bel-7402 Homo sapiens IC50 > 100 ug/ml 25333996
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 = 53.3 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 NPC473656 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
0.9725 High Similarity NPC475372
0.9636 High Similarity NPC312536
0.9279 High Similarity NPC475323
0.9182 High Similarity NPC473535
0.913 High Similarity NPC129992
0.8644 High Similarity NPC469352
0.8632 High Similarity NPC67569
0.8571 High Similarity NPC8369
0.8559 High Similarity NPC23786
0.8559 High Similarity NPC470265
0.8487 Intermediate Similarity NPC469789
0.8455 Intermediate Similarity NPC146731
0.8455 Intermediate Similarity NPC296950
0.8455 Intermediate Similarity NPC294259
0.8443 Intermediate Similarity NPC475371
0.8443 Intermediate Similarity NPC473593
0.8435 Intermediate Similarity NPC123117
0.8421 Intermediate Similarity NPC470063
0.8421 Intermediate Similarity NPC269530
0.8407 Intermediate Similarity NPC179642
0.8393 Intermediate Similarity NPC255082
0.8376 Intermediate Similarity NPC288679
0.8376 Intermediate Similarity NPC50774
0.8376 Intermediate Similarity NPC709
0.8364 Intermediate Similarity NPC36688
0.8362 Intermediate Similarity NPC470075
0.8347 Intermediate Similarity NPC293112
0.8333 Intermediate Similarity NPC11895
0.8333 Intermediate Similarity NPC470076
0.8319 Intermediate Similarity NPC46570
0.8305 Intermediate Similarity NPC42673
0.8305 Intermediate Similarity NPC475520
0.8305 Intermediate Similarity NPC230513
0.8305 Intermediate Similarity NPC469380
0.8304 Intermediate Similarity NPC67321
0.8304 Intermediate Similarity NPC187435
0.8291 Intermediate Similarity NPC140055
0.8291 Intermediate Similarity NPC469684
0.8291 Intermediate Similarity NPC286528
0.8291 Intermediate Similarity NPC20302
0.8291 Intermediate Similarity NPC167606
0.8279 Intermediate Similarity NPC42399
0.8276 Intermediate Similarity NPC147912
0.8276 Intermediate Similarity NPC474181
0.8276 Intermediate Similarity NPC67259
0.8273 Intermediate Similarity NPC476081
0.8273 Intermediate Similarity NPC86077
0.8264 Intermediate Similarity NPC8374
0.8261 Intermediate Similarity NPC236217
0.8257 Intermediate Similarity NPC47024
0.825 Intermediate Similarity NPC269642
0.825 Intermediate Similarity NPC107493
0.825 Intermediate Similarity NPC287236
0.825 Intermediate Similarity NPC170538
0.8246 Intermediate Similarity NPC475134
0.8246 Intermediate Similarity NPC235014
0.8246 Intermediate Similarity NPC475563
0.8241 Intermediate Similarity NPC73911
0.8235 Intermediate Similarity NPC143755
0.8235 Intermediate Similarity NPC474585
0.8235 Intermediate Similarity NPC474370
0.822 Intermediate Similarity NPC475913
0.8214 Intermediate Similarity NPC472655
0.8211 Intermediate Similarity NPC473620
0.8211 Intermediate Similarity NPC470850
0.8205 Intermediate Similarity NPC471127
0.8205 Intermediate Similarity NPC138372
0.8205 Intermediate Similarity NPC106228
0.8205 Intermediate Similarity NPC154363
0.8205 Intermediate Similarity NPC234858
0.8198 Intermediate Similarity NPC168575
0.8198 Intermediate Similarity NPC112009
0.8198 Intermediate Similarity NPC159533
0.8198 Intermediate Similarity NPC476237
0.8197 Intermediate Similarity NPC473635
0.819 Intermediate Similarity NPC470120
0.819 Intermediate Similarity NPC312017
0.819 Intermediate Similarity NPC477126
0.819 Intermediate Similarity NPC122056
0.819 Intermediate Similarity NPC9848
0.8174 Intermediate Similarity NPC474846
0.8174 Intermediate Similarity NPC469656
0.8174 Intermediate Similarity NPC473921
0.8174 Intermediate Similarity NPC475668
0.8174 Intermediate Similarity NPC469655
0.8174 Intermediate Similarity NPC475480
0.8165 Intermediate Similarity NPC216478
0.816 Intermediate Similarity NPC34963
0.8158 Intermediate Similarity NPC42662
0.8158 Intermediate Similarity NPC273433
0.8158 Intermediate Similarity NPC472216
0.8158 Intermediate Similarity NPC475065
0.8158 Intermediate Similarity NPC284828
0.8158 Intermediate Similarity NPC173905
0.8158 Intermediate Similarity NPC5475
0.8151 Intermediate Similarity NPC475834
0.8151 Intermediate Similarity NPC472667
0.8151 Intermediate Similarity NPC264954
0.8151 Intermediate Similarity NPC474179
0.8151 Intermediate Similarity NPC475041
0.8145 Intermediate Similarity NPC35109
0.8145 Intermediate Similarity NPC231529
0.8145 Intermediate Similarity NPC476966
0.8142 Intermediate Similarity NPC329048
0.8142 Intermediate Similarity NPC330011
0.8142 Intermediate Similarity NPC131665
0.8142 Intermediate Similarity NPC255387
0.8136 Intermediate Similarity NPC10721
0.8136 Intermediate Similarity NPC98249
0.8136 Intermediate Similarity NPC470492
0.8136 Intermediate Similarity NPC470493
0.8136 Intermediate Similarity NPC183580
0.8136 Intermediate Similarity NPC58662
0.8136 Intermediate Similarity NPC53396
0.8136 Intermediate Similarity NPC284068
0.8136 Intermediate Similarity NPC312824
0.8136 Intermediate Similarity NPC476959
0.813 Intermediate Similarity NPC287423
0.813 Intermediate Similarity NPC298841
0.812 Intermediate Similarity NPC238667
0.812 Intermediate Similarity NPC216665
0.8115 Intermediate Similarity NPC81736
0.8115 Intermediate Similarity NPC172154
0.8108 Intermediate Similarity NPC273005
0.8108 Intermediate Similarity NPC31058
0.8108 Intermediate Similarity NPC474709
0.8108 Intermediate Similarity NPC469606
0.8103 Intermediate Similarity NPC277769
0.8103 Intermediate Similarity NPC23967
0.8103 Intermediate Similarity NPC69291
0.8103 Intermediate Similarity NPC4573
0.8099 Intermediate Similarity NPC88326
0.8099 Intermediate Similarity NPC153700
0.8095 Intermediate Similarity NPC58029
0.8095 Intermediate Similarity NPC469673
0.8091 Intermediate Similarity NPC474012
0.8091 Intermediate Similarity NPC476303
0.8091 Intermediate Similarity NPC474718
0.8091 Intermediate Similarity NPC476299
0.8087 Intermediate Similarity NPC5103
0.8083 Intermediate Similarity NPC154491
0.8083 Intermediate Similarity NPC472004
0.8083 Intermediate Similarity NPC476961
0.8083 Intermediate Similarity NPC251226
0.8083 Intermediate Similarity NPC268530
0.8083 Intermediate Similarity NPC79579
0.8083 Intermediate Similarity NPC4548
0.808 Intermediate Similarity NPC196921
0.808 Intermediate Similarity NPC241935
0.808 Intermediate Similarity NPC220757
0.808 Intermediate Similarity NPC279478
0.807 Intermediate Similarity NPC151393
0.807 Intermediate Similarity NPC475418
0.807 Intermediate Similarity NPC189075
0.807 Intermediate Similarity NPC275539
0.807 Intermediate Similarity NPC94377
0.807 Intermediate Similarity NPC473482
0.807 Intermediate Similarity NPC318363
0.807 Intermediate Similarity NPC306265
0.8067 Intermediate Similarity NPC146280
0.8067 Intermediate Similarity NPC284707
0.8067 Intermediate Similarity NPC124676
0.8067 Intermediate Similarity NPC186525
0.8067 Intermediate Similarity NPC473720
0.8067 Intermediate Similarity NPC153440
0.8053 Intermediate Similarity NPC475217
0.8053 Intermediate Similarity NPC475414
0.8053 Intermediate Similarity NPC173172
0.8053 Intermediate Similarity NPC469607
0.8051 Intermediate Similarity NPC64318
0.8051 Intermediate Similarity NPC72772
0.8051 Intermediate Similarity NPC470793
0.8051 Intermediate Similarity NPC190286
0.8051 Intermediate Similarity NPC469794
0.8036 Intermediate Similarity NPC180204
0.8036 Intermediate Similarity NPC69171
0.8036 Intermediate Similarity NPC474165
0.8036 Intermediate Similarity NPC120321
0.8036 Intermediate Similarity NPC474775
0.8036 Intermediate Similarity NPC176883
0.8034 Intermediate Similarity NPC472757
0.8034 Intermediate Similarity NPC25909
0.8034 Intermediate Similarity NPC469454
0.8034 Intermediate Similarity NPC469463
0.8034 Intermediate Similarity NPC469496
0.8033 Intermediate Similarity NPC472399
0.8033 Intermediate Similarity NPC469382
0.8031 Intermediate Similarity NPC476823
0.8018 Intermediate Similarity NPC308824
0.8018 Intermediate Similarity NPC471412
0.8017 Intermediate Similarity NPC4021
0.8017 Intermediate Similarity NPC317107
0.8017 Intermediate Similarity NPC474315
0.8017 Intermediate Similarity NPC159456
0.8016 Intermediate Similarity NPC231240
0.8 Intermediate Similarity NPC473636
0.8 Intermediate Similarity NPC5292
0.8 Intermediate Similarity NPC124512
0.8 Intermediate Similarity NPC476960
0.8 Intermediate Similarity NPC159763

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473656 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
0.8291 Intermediate Similarity NPD7115 Discovery
0.8 Intermediate Similarity NPD4225 Approved
0.7838 Intermediate Similarity NPD7638 Approved
0.7826 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6371 Approved
0.7768 Intermediate Similarity NPD7640 Approved
0.7768 Intermediate Similarity NPD7639 Approved
0.7717 Intermediate Similarity NPD7319 Approved
0.7698 Intermediate Similarity NPD7078 Approved
0.768 Intermediate Similarity NPD7492 Approved
0.7647 Intermediate Similarity NPD6053 Discontinued
0.7642 Intermediate Similarity NPD6054 Approved
0.7619 Intermediate Similarity NPD7507 Approved
0.7619 Intermediate Similarity NPD6616 Approved
0.752 Intermediate Similarity NPD6370 Approved
0.75 Intermediate Similarity NPD7736 Approved
0.75 Intermediate Similarity NPD6059 Approved
0.75 Intermediate Similarity NPD6319 Approved
0.7458 Intermediate Similarity NPD6686 Approved
0.744 Intermediate Similarity NPD6015 Approved
0.744 Intermediate Similarity NPD6016 Approved
0.7436 Intermediate Similarity NPD6008 Approved
0.7422 Intermediate Similarity NPD8293 Discontinued
0.7411 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7395 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD5988 Approved
0.7355 Intermediate Similarity NPD8297 Approved
0.7339 Intermediate Similarity NPD7328 Approved
0.7339 Intermediate Similarity NPD7327 Approved
0.7333 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7311 Intermediate Similarity NPD7320 Approved
0.7311 Intermediate Similarity NPD6899 Approved
0.7311 Intermediate Similarity NPD6881 Approved
0.7302 Intermediate Similarity NPD8033 Approved
0.7295 Intermediate Similarity NPD4632 Approved
0.7288 Intermediate Similarity NPD5739 Approved
0.7288 Intermediate Similarity NPD6675 Approved
0.7288 Intermediate Similarity NPD6402 Approved
0.7288 Intermediate Similarity NPD7128 Approved
0.728 Intermediate Similarity NPD7516 Approved
0.7273 Intermediate Similarity NPD6650 Approved
0.7273 Intermediate Similarity NPD6649 Approved
0.725 Intermediate Similarity NPD6373 Approved
0.725 Intermediate Similarity NPD6372 Approved
0.7232 Intermediate Similarity NPD6399 Phase 3
0.7227 Intermediate Similarity NPD5697 Approved
0.7222 Intermediate Similarity NPD8377 Approved
0.7222 Intermediate Similarity NPD8294 Approved
0.719 Intermediate Similarity NPD6883 Approved
0.719 Intermediate Similarity NPD7102 Approved
0.719 Intermediate Similarity NPD7290 Approved
0.7179 Intermediate Similarity NPD7632 Discontinued
0.7167 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD8296 Approved
0.7165 Intermediate Similarity NPD8380 Approved
0.7165 Intermediate Similarity NPD8335 Approved
0.7165 Intermediate Similarity NPD7503 Approved
0.7165 Intermediate Similarity NPD8378 Approved
0.7165 Intermediate Similarity NPD8379 Approved
0.7131 Intermediate Similarity NPD6869 Approved
0.7131 Intermediate Similarity NPD6847 Approved
0.7131 Intermediate Similarity NPD8130 Phase 1
0.7131 Intermediate Similarity NPD6617 Approved
0.712 Intermediate Similarity NPD6009 Approved
0.7117 Intermediate Similarity NPD1695 Approved
0.7107 Intermediate Similarity NPD6013 Approved
0.7107 Intermediate Similarity NPD6012 Approved
0.7107 Intermediate Similarity NPD6014 Approved
0.7094 Intermediate Similarity NPD5344 Discontinued
0.7083 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD5701 Approved
0.7073 Intermediate Similarity NPD6882 Approved
0.7054 Intermediate Similarity NPD46 Approved
0.7054 Intermediate Similarity NPD5785 Approved
0.7054 Intermediate Similarity NPD6698 Approved
0.7054 Intermediate Similarity NPD7604 Phase 2
0.7049 Intermediate Similarity NPD4634 Approved
0.7031 Intermediate Similarity NPD8513 Phase 3
0.7031 Intermediate Similarity NPD5983 Phase 2
0.7025 Intermediate Similarity NPD6011 Approved
0.6991 Remote Similarity NPD7637 Suspended
0.6983 Remote Similarity NPD6084 Phase 2
0.6983 Remote Similarity NPD6083 Phase 2
0.697 Remote Similarity NPD6033 Approved
0.6957 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6336 Discontinued
0.6942 Remote Similarity NPD6412 Phase 2
0.6909 Remote Similarity NPD1694 Approved
0.6899 Remote Similarity NPD8515 Approved
0.6899 Remote Similarity NPD8517 Approved
0.6899 Remote Similarity NPD8516 Approved
0.6891 Remote Similarity NPD5211 Phase 2
0.688 Remote Similarity NPD8133 Approved
0.687 Remote Similarity NPD5282 Discontinued
0.6864 Remote Similarity NPD5285 Approved
0.6864 Remote Similarity NPD5286 Approved
0.6864 Remote Similarity NPD6648 Approved
0.6864 Remote Similarity NPD4696 Approved
0.6855 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6847 Remote Similarity NPD3618 Phase 1
0.6842 Remote Similarity NPD8035 Phase 2
0.6842 Remote Similarity NPD8034 Phase 2
0.6842 Remote Similarity NPD6079 Approved
0.6838 Remote Similarity NPD7902 Approved
0.6838 Remote Similarity NPD4755 Approved
0.6814 Remote Similarity NPD5328 Approved
0.681 Remote Similarity NPD5695 Phase 3
0.6794 Remote Similarity NPD8328 Phase 3
0.6789 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6783 Remote Similarity NPD5779 Approved
0.6783 Remote Similarity NPD5778 Approved
0.6783 Remote Similarity NPD4202 Approved
0.678 Remote Similarity NPD5696 Approved
0.6777 Remote Similarity NPD5141 Approved
0.6772 Remote Similarity NPD6274 Approved
0.6769 Remote Similarity NPD6291 Clinical (unspecified phase)
0.675 Remote Similarity NPD5224 Approved
0.675 Remote Similarity NPD5226 Approved
0.675 Remote Similarity NPD4633 Approved
0.675 Remote Similarity NPD5225 Approved
0.6744 Remote Similarity NPD7101 Approved
0.6744 Remote Similarity NPD7100 Approved
0.6724 Remote Similarity NPD7748 Approved
0.6723 Remote Similarity NPD4700 Approved
0.672 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6696 Remote Similarity NPD7515 Phase 2
0.6696 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6694 Remote Similarity NPD5174 Approved
0.6694 Remote Similarity NPD5175 Approved
0.6691 Remote Similarity NPD7260 Phase 2
0.6667 Remote Similarity NPD5223 Approved
0.6667 Remote Similarity NPD6335 Approved
0.6667 Remote Similarity NPD6067 Discontinued
0.6667 Remote Similarity NPD1700 Approved
0.6667 Remote Similarity NPD4786 Approved
0.6642 Remote Similarity NPD6845 Suspended
0.6642 Remote Similarity NPD8074 Phase 3
0.6639 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6618 Remote Similarity NPD5956 Approved
0.661 Remote Similarity NPD5220 Clinical (unspecified phase)
0.661 Remote Similarity NPD5222 Approved
0.661 Remote Similarity NPD4697 Phase 3
0.661 Remote Similarity NPD5221 Approved
0.6609 Remote Similarity NPD7838 Discovery
0.6607 Remote Similarity NPD5363 Approved
0.6607 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6589 Remote Similarity NPD6317 Approved
0.6589 Remote Similarity NPD8295 Clinical (unspecified phase)
0.6581 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6581 Remote Similarity NPD6001 Approved
0.6581 Remote Similarity NPD7900 Approved
0.6579 Remote Similarity NPD6903 Approved
0.6579 Remote Similarity NPD6672 Approved
0.6579 Remote Similarity NPD5737 Approved
0.656 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6555 Remote Similarity NPD5173 Approved
0.6552 Remote Similarity NPD5693 Phase 1
0.6552 Remote Similarity NPD5281 Approved
0.6552 Remote Similarity NPD7983 Approved
0.6552 Remote Similarity NPD5284 Approved
0.6552 Remote Similarity NPD6411 Approved
0.6549 Remote Similarity NPD7334 Approved
0.6549 Remote Similarity NPD6409 Approved
0.6549 Remote Similarity NPD7521 Approved
0.6549 Remote Similarity NPD6684 Approved
0.6549 Remote Similarity NPD5330 Approved
0.6549 Remote Similarity NPD7146 Approved
0.6538 Remote Similarity NPD6314 Approved
0.6538 Remote Similarity NPD6313 Approved
0.6525 Remote Similarity NPD4629 Approved
0.6525 Remote Similarity NPD5210 Approved
0.6522 Remote Similarity NPD4753 Phase 2
0.6518 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6515 Remote Similarity NPD6908 Approved
0.6515 Remote Similarity NPD6921 Approved
0.6515 Remote Similarity NPD6909 Approved
0.6512 Remote Similarity NPD6868 Approved
0.6491 Remote Similarity NPD7524 Approved
0.6491 Remote Similarity NPD4250 Approved
0.6491 Remote Similarity NPD4251 Approved
0.6486 Remote Similarity NPD3667 Approved
0.648 Remote Similarity NPD4729 Approved
0.648 Remote Similarity NPD5128 Approved
0.648 Remote Similarity NPD4730 Approved
0.6466 Remote Similarity NPD5207 Approved
0.646 Remote Similarity NPD6082 Clinical (unspecified phase)
0.646 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6455 Remote Similarity NPD7525 Registered
0.6452 Remote Similarity NPD4768 Approved
0.6452 Remote Similarity NPD4767 Approved
0.6435 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6429 Remote Similarity NPD5362 Discontinued
0.6429 Remote Similarity NPD6695 Phase 3
0.6423 Remote Similarity NPD4754 Approved
0.6404 Remote Similarity NPD4249 Approved
0.6396 Remote Similarity NPD5369 Approved
0.6379 Remote Similarity NPD6080 Approved
0.6379 Remote Similarity NPD6904 Approved
0.6379 Remote Similarity NPD6101 Approved
0.6379 Remote Similarity NPD5764 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   24970812
ChEMBL   CHEMBL448238
ZINC  

Physicochemical Properties

Molecular Weight:  516.31
ALogP:  0.7535
MLogP:  3.99
XLogP:  3.973
# Rotatable Bonds:  10
Polar Surface Area:  102.29
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  37

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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