Natural Product: NPC475372

Natural Product ID:  NPC475372
Common Name:   Kadcoccilactone A
IUPAC Name:  
Synonyms:  
Molecular Formula:   C30H44O7
Standard InCHIKey:  SHJXIADUURYPSM-LISQSKDTSA-N
Standard InCHI:  InChI=1S/C30H44O7/c1-17-7-8-19(35-24(17)32)18(2)30(34)14-11-26(5)21-10-9-20-25(3,4)36-22-15-23(31)37-29(20,22)16-28(21,33)13-12-27(26,30)6/h7,18-22,33-34H,8-16H2,1-6H3/t18-,19+,20+,21+,22-,26+,27+,28+,29-,30-/m1/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)(C)CC[C@@]4(O)[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
NPT111 Cell Line K562 Homo sapiens IC50 > 100 ug/ml 18293924
NPT81 Cell Line A549 Homo sapiens IC50 > 100 ug/ml 10.6019/CHEMBL1201861
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 36.4 ug/ml 9917283
NPT81 Cell Line A549 Homo sapiens IC > 100 ug/ml DrugMatrix in vitro pharmacology data
NPT181 Cell Line Bel-7402 Homo sapiens IC50 = 36.4 ug/ml 19880317
NPT111 Cell Line K562 Homo sapiens IC50 > 100 ug/ml 19719247

  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 NPC475372 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 NPC312536
0.9725 High Similarity NPC473656
0.9217 High Similarity NPC129992
0.9099 High Similarity NPC473535
0.9027 High Similarity NPC475323
0.8621 High Similarity NPC288679
0.8571 High Similarity NPC469352
0.8525 High Similarity NPC475371
0.8522 High Similarity NPC123117
0.8496 Intermediate Similarity NPC179642
0.8475 Intermediate Similarity NPC143755
0.8475 Intermediate Similarity NPC474585
0.8403 Intermediate Similarity NPC46570
0.8403 Intermediate Similarity NPC67569
0.839 Intermediate Similarity NPC472667
0.8378 Intermediate Similarity NPC146731
0.8378 Intermediate Similarity NPC294259
0.8361 Intermediate Similarity NPC287423
0.8348 Intermediate Similarity NPC269530
0.8347 Intermediate Similarity NPC8374
0.8347 Intermediate Similarity NPC8369
0.8333 Intermediate Similarity NPC107493
0.8333 Intermediate Similarity NPC23786
0.8333 Intermediate Similarity NPC470265
0.8333 Intermediate Similarity NPC269642
0.8319 Intermediate Similarity NPC474370
0.8319 Intermediate Similarity NPC4548
0.8319 Intermediate Similarity NPC255082
0.8305 Intermediate Similarity NPC153440
0.8293 Intermediate Similarity NPC470850
0.8291 Intermediate Similarity NPC138372
0.8291 Intermediate Similarity NPC470793
0.8291 Intermediate Similarity NPC190286
0.8291 Intermediate Similarity NPC106228
0.8276 Intermediate Similarity NPC312017
0.8276 Intermediate Similarity NPC470120
0.8276 Intermediate Similarity NPC9848
0.8264 Intermediate Similarity NPC469789
0.824 Intermediate Similarity NPC34963
0.8235 Intermediate Similarity NPC475520
0.8235 Intermediate Similarity NPC469380
0.8235 Intermediate Similarity NPC475041
0.8235 Intermediate Similarity NPC5292
0.8235 Intermediate Similarity NPC264954
0.8226 Intermediate Similarity NPC231529
0.8226 Intermediate Similarity NPC35109
0.8226 Intermediate Similarity NPC473593
0.8214 Intermediate Similarity NPC296950
0.8205 Intermediate Similarity NPC216665
0.8205 Intermediate Similarity NPC43213
0.819 Intermediate Similarity NPC470063
0.819 Intermediate Similarity NPC23967
0.8182 Intermediate Similarity NPC153700
0.8182 Intermediate Similarity NPC88326
0.8182 Intermediate Similarity NPC170538
0.8175 Intermediate Similarity NPC469673
0.8175 Intermediate Similarity NPC58029
0.8174 Intermediate Similarity NPC474923
0.8174 Intermediate Similarity NPC48305
0.8167 Intermediate Similarity NPC472004
0.8167 Intermediate Similarity NPC79579
0.816 Intermediate Similarity NPC220757
0.816 Intermediate Similarity NPC241935
0.816 Intermediate Similarity NPC279478
0.816 Intermediate Similarity NPC196921
0.8151 Intermediate Similarity NPC50774
0.8151 Intermediate Similarity NPC159928
0.8151 Intermediate Similarity NPC709
0.8136 Intermediate Similarity NPC469794
0.8136 Intermediate Similarity NPC72772
0.8136 Intermediate Similarity NPC470075
0.813 Intermediate Similarity NPC293112
0.813 Intermediate Similarity NPC473635
0.8125 Intermediate Similarity NPC36688
0.8125 Intermediate Similarity NPC168575
0.8125 Intermediate Similarity NPC474775
0.812 Intermediate Similarity NPC477126
0.8115 Intermediate Similarity NPC204812
0.8115 Intermediate Similarity NPC11895
0.811 Intermediate Similarity NPC476823
0.8103 Intermediate Similarity NPC470076
0.8099 Intermediate Similarity NPC310511
0.8083 Intermediate Similarity NPC9674
0.8083 Intermediate Similarity NPC270850
0.8083 Intermediate Similarity NPC19028
0.8083 Intermediate Similarity NPC42673
0.8083 Intermediate Similarity NPC230513
0.8083 Intermediate Similarity NPC305260
0.808 Intermediate Similarity NPC472770
0.808 Intermediate Similarity NPC470851
0.807 Intermediate Similarity NPC26617
0.807 Intermediate Similarity NPC67321
0.807 Intermediate Similarity NPC187435
0.8067 Intermediate Similarity NPC286528
0.8067 Intermediate Similarity NPC167606
0.8067 Intermediate Similarity NPC140055
0.8067 Intermediate Similarity NPC470492
0.8067 Intermediate Similarity NPC36754
0.8067 Intermediate Similarity NPC475238
0.8067 Intermediate Similarity NPC469684
0.8067 Intermediate Similarity NPC20302
0.8065 Intermediate Similarity NPC42399
0.8053 Intermediate Similarity NPC474550
0.8053 Intermediate Similarity NPC475585
0.8053 Intermediate Similarity NPC473577
0.8051 Intermediate Similarity NPC471380
0.8051 Intermediate Similarity NPC67259
0.8051 Intermediate Similarity NPC474181
0.8051 Intermediate Similarity NPC178289
0.8051 Intermediate Similarity NPC90472
0.8051 Intermediate Similarity NPC147912
0.8049 Intermediate Similarity NPC81736
0.8049 Intermediate Similarity NPC32868
0.8049 Intermediate Similarity NPC172154
0.8049 Intermediate Similarity NPC241456
0.8036 Intermediate Similarity NPC22388
0.8036 Intermediate Similarity NPC86077
0.8036 Intermediate Similarity NPC476081
0.8034 Intermediate Similarity NPC191620
0.8034 Intermediate Similarity NPC236217
0.8033 Intermediate Similarity NPC287236
0.8031 Intermediate Similarity NPC88668
0.8018 Intermediate Similarity NPC47024
0.8018 Intermediate Similarity NPC476303
0.8017 Intermediate Similarity NPC235014
0.8017 Intermediate Similarity NPC475563
0.8017 Intermediate Similarity NPC475134
0.8 Intermediate Similarity NPC475913
0.8 Intermediate Similarity NPC473720
0.8 Intermediate Similarity NPC186525
0.8 Intermediate Similarity NPC170143
0.8 Intermediate Similarity NPC470420
0.8 Intermediate Similarity NPC161060
0.8 Intermediate Similarity NPC94377
0.8 Intermediate Similarity NPC473620
0.8 Intermediate Similarity NPC475418
0.8 Intermediate Similarity NPC318363
0.8 Intermediate Similarity NPC311534
0.8 Intermediate Similarity NPC73911
0.8 Intermediate Similarity NPC473482
0.8 Intermediate Similarity NPC213947
0.8 Intermediate Similarity NPC473888
0.8 Intermediate Similarity NPC108475
0.7984 Intermediate Similarity NPC15095
0.7983 Intermediate Similarity NPC176840
0.7983 Intermediate Similarity NPC64318
0.7983 Intermediate Similarity NPC266728
0.7983 Intermediate Similarity NPC234858
0.7983 Intermediate Similarity NPC471127
0.7983 Intermediate Similarity NPC196931
0.7983 Intermediate Similarity NPC154363
0.7983 Intermediate Similarity NPC49492
0.7982 Intermediate Similarity NPC67584
0.7982 Intermediate Similarity NPC475217
0.7982 Intermediate Similarity NPC475290
0.7982 Intermediate Similarity NPC119855
0.7982 Intermediate Similarity NPC220217
0.7982 Intermediate Similarity NPC472655
0.7969 Intermediate Similarity NPC471234
0.7967 Intermediate Similarity NPC469382
0.7967 Intermediate Similarity NPC6193
0.7967 Intermediate Similarity NPC471392
0.7967 Intermediate Similarity NPC473979
0.7967 Intermediate Similarity NPC472399
0.7966 Intermediate Similarity NPC122056
0.7966 Intermediate Similarity NPC52634
0.7965 Intermediate Similarity NPC112009
0.7965 Intermediate Similarity NPC180204
0.7965 Intermediate Similarity NPC476237
0.7965 Intermediate Similarity NPC176883
0.7965 Intermediate Similarity NPC159533
0.7953 Intermediate Similarity NPC472769
0.7949 Intermediate Similarity NPC475668
0.7949 Intermediate Similarity NPC473921
0.7949 Intermediate Similarity NPC469655
0.7949 Intermediate Similarity NPC260786
0.7949 Intermediate Similarity NPC96739
0.7949 Intermediate Similarity NPC469656
0.7949 Intermediate Similarity NPC474846
0.7949 Intermediate Similarity NPC174471
0.7949 Intermediate Similarity NPC475480
0.7949 Intermediate Similarity NPC474871
0.7946 Intermediate Similarity NPC475099
0.7946 Intermediate Similarity NPC171759
0.7937 Intermediate Similarity NPC476966
0.7937 Intermediate Similarity NPC221414
0.7934 Intermediate Similarity NPC475834
0.7934 Intermediate Similarity NPC474179
0.7931 Intermediate Similarity NPC5475
0.7931 Intermediate Similarity NPC475065
0.7931 Intermediate Similarity NPC477102
0.7931 Intermediate Similarity NPC173905
0.7931 Intermediate Similarity NPC284828
0.7931 Intermediate Similarity NPC42662
0.7931 Intermediate Similarity NPC273433
0.7931 Intermediate Similarity NPC472216
0.7928 Intermediate Similarity NPC216478
0.792 Intermediate Similarity NPC471357
0.792 Intermediate Similarity NPC473253
0.792 Intermediate Similarity NPC470882

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475372 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
0.807 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.8067 Intermediate Similarity NPD7115 Discovery
0.7863 Intermediate Similarity NPD6371 Approved
0.7795 Intermediate Similarity NPD7319 Approved
0.7778 Intermediate Similarity NPD7078 Approved
0.7768 Intermediate Similarity NPD4225 Approved
0.7768 Intermediate Similarity NPD7638 Approved
0.776 Intermediate Similarity NPD7492 Approved
0.7731 Intermediate Similarity NPD6053 Discontinued
0.7724 Intermediate Similarity NPD6054 Approved
0.7699 Intermediate Similarity NPD7639 Approved
0.7699 Intermediate Similarity NPD7640 Approved
0.7698 Intermediate Similarity NPD7507 Approved
0.7698 Intermediate Similarity NPD6616 Approved
0.7672 Intermediate Similarity NPD6008 Approved
0.76 Intermediate Similarity NPD6370 Approved
0.7581 Intermediate Similarity NPD6059 Approved
0.7581 Intermediate Similarity NPD6319 Approved
0.7578 Intermediate Similarity NPD7736 Approved
0.752 Intermediate Similarity NPD6015 Approved
0.752 Intermediate Similarity NPD6016 Approved
0.75 Intermediate Similarity NPD8293 Discontinued
0.746 Intermediate Similarity NPD5988 Approved
0.7438 Intermediate Similarity NPD8297 Approved
0.7419 Intermediate Similarity NPD7328 Approved
0.7419 Intermediate Similarity NPD7327 Approved
0.7395 Intermediate Similarity NPD6899 Approved
0.7395 Intermediate Similarity NPD6881 Approved
0.7395 Intermediate Similarity NPD7320 Approved
0.7381 Intermediate Similarity NPD8033 Approved
0.7377 Intermediate Similarity NPD4632 Approved
0.7373 Intermediate Similarity NPD7128 Approved
0.7373 Intermediate Similarity NPD5739 Approved
0.7373 Intermediate Similarity NPD6675 Approved
0.7373 Intermediate Similarity NPD6402 Approved
0.736 Intermediate Similarity NPD7516 Approved
0.7355 Intermediate Similarity NPD6650 Approved
0.7355 Intermediate Similarity NPD6649 Approved
0.7333 Intermediate Similarity NPD6373 Approved
0.7333 Intermediate Similarity NPD6372 Approved
0.7311 Intermediate Similarity NPD5697 Approved
0.7302 Intermediate Similarity NPD8377 Approved
0.7302 Intermediate Similarity NPD8294 Approved
0.7273 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7290 Approved
0.7273 Intermediate Similarity NPD7102 Approved
0.7273 Intermediate Similarity NPD6883 Approved
0.725 Intermediate Similarity NPD6686 Approved
0.7244 Intermediate Similarity NPD8380 Approved
0.7244 Intermediate Similarity NPD7503 Approved
0.7244 Intermediate Similarity NPD8379 Approved
0.7244 Intermediate Similarity NPD8378 Approved
0.7244 Intermediate Similarity NPD8335 Approved
0.7244 Intermediate Similarity NPD8296 Approved
0.7213 Intermediate Similarity NPD8130 Phase 1
0.7213 Intermediate Similarity NPD6617 Approved
0.7213 Intermediate Similarity NPD6869 Approved
0.7213 Intermediate Similarity NPD6847 Approved
0.7207 Intermediate Similarity NPD1695 Approved
0.72 Intermediate Similarity NPD6009 Approved
0.7193 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6013 Approved
0.719 Intermediate Similarity NPD6014 Approved
0.719 Intermediate Similarity NPD6012 Approved
0.7168 Intermediate Similarity NPD6399 Phase 3
0.7167 Intermediate Similarity NPD5701 Approved
0.7154 Intermediate Similarity NPD6882 Approved
0.7143 Intermediate Similarity NPD5785 Approved
0.7132 Intermediate Similarity NPD7604 Phase 2
0.7131 Intermediate Similarity NPD4634 Approved
0.7119 Intermediate Similarity NPD7632 Discontinued
0.7109 Intermediate Similarity NPD5983 Phase 2
0.7107 Intermediate Similarity NPD6011 Approved
0.7069 Intermediate Similarity NPD6083 Phase 2
0.7069 Intermediate Similarity NPD6084 Phase 2
0.7045 Intermediate Similarity NPD6033 Approved
0.7043 Intermediate Similarity NPD5695 Phase 3
0.7025 Intermediate Similarity NPD6412 Phase 2
0.7025 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD6336 Discontinued
0.7009 Intermediate Similarity NPD5696 Approved
0.6975 Remote Similarity NPD5211 Phase 2
0.6967 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6949 Remote Similarity NPD4696 Approved
0.6949 Remote Similarity NPD5285 Approved
0.6949 Remote Similarity NPD5286 Approved
0.6935 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4755 Approved
0.6891 Remote Similarity NPD5344 Discontinued
0.6891 Remote Similarity NPD1700 Approved
0.687 Remote Similarity NPD4202 Approved
0.686 Remote Similarity NPD5141 Approved
0.685 Remote Similarity NPD6274 Approved
0.6847 Remote Similarity NPD1694 Approved
0.6846 Remote Similarity NPD8513 Phase 3
0.6846 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6842 Remote Similarity NPD46 Approved
0.6842 Remote Similarity NPD6698 Approved
0.6833 Remote Similarity NPD5226 Approved
0.6833 Remote Similarity NPD4633 Approved
0.6833 Remote Similarity NPD5224 Approved
0.6833 Remote Similarity NPD5225 Approved
0.6825 Remote Similarity NPD8133 Approved
0.6822 Remote Similarity NPD7100 Approved
0.6822 Remote Similarity NPD7101 Approved
0.6814 Remote Similarity NPD6903 Approved
0.681 Remote Similarity NPD6001 Approved
0.681 Remote Similarity NPD5282 Discontinued
0.6807 Remote Similarity NPD6648 Approved
0.6807 Remote Similarity NPD4700 Approved
0.6786 Remote Similarity NPD6684 Approved
0.6786 Remote Similarity NPD6409 Approved
0.6786 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7334 Approved
0.6786 Remote Similarity NPD5330 Approved
0.6786 Remote Similarity NPD7146 Approved
0.6786 Remote Similarity NPD7521 Approved
0.6783 Remote Similarity NPD5693 Phase 1
0.6783 Remote Similarity NPD5284 Approved
0.6783 Remote Similarity NPD5281 Approved
0.6783 Remote Similarity NPD8035 Phase 2
0.6783 Remote Similarity NPD7637 Suspended
0.6783 Remote Similarity NPD8034 Phase 2
0.678 Remote Similarity NPD7902 Approved
0.6777 Remote Similarity NPD5174 Approved
0.6777 Remote Similarity NPD5175 Approved
0.675 Remote Similarity NPD5223 Approved
0.6744 Remote Similarity NPD6335 Approved
0.6742 Remote Similarity NPD6067 Discontinued
0.6727 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6718 Remote Similarity NPD8516 Approved
0.6718 Remote Similarity NPD8517 Approved
0.6718 Remote Similarity NPD8515 Approved
0.6696 Remote Similarity NPD5363 Approved
0.6696 Remote Similarity NPD5207 Approved
0.6691 Remote Similarity NPD5956 Approved
0.6667 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6317 Approved
0.6667 Remote Similarity NPD7748 Approved
0.6642 Remote Similarity NPD7260 Phase 2
0.6638 Remote Similarity NPD6079 Approved
0.6637 Remote Similarity NPD3618 Phase 1
0.6617 Remote Similarity NPD8328 Phase 3
0.6615 Remote Similarity NPD6313 Approved
0.6615 Remote Similarity NPD6314 Approved
0.661 Remote Similarity NPD4629 Approved
0.661 Remote Similarity NPD5210 Approved
0.6609 Remote Similarity NPD4753 Phase 2
0.6609 Remote Similarity NPD6904 Approved
0.6609 Remote Similarity NPD6673 Approved
0.6609 Remote Similarity NPD5328 Approved
0.6609 Remote Similarity NPD6080 Approved
0.6609 Remote Similarity NPD6051 Approved
0.6594 Remote Similarity NPD6845 Suspended
0.6591 Remote Similarity NPD6909 Approved
0.6591 Remote Similarity NPD6908 Approved
0.6581 Remote Similarity NPD5779 Approved
0.6581 Remote Similarity NPD5778 Approved
0.6579 Remote Similarity NPD4250 Approved
0.6579 Remote Similarity NPD4251 Approved
0.656 Remote Similarity NPD5128 Approved
0.656 Remote Similarity NPD4730 Approved
0.656 Remote Similarity NPD4729 Approved
0.6549 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6535 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6532 Remote Similarity NPD4767 Approved
0.6532 Remote Similarity NPD4768 Approved
0.6525 Remote Similarity NPD7900 Approved
0.6525 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6522 Remote Similarity NPD5737 Approved
0.6522 Remote Similarity NPD6672 Approved
0.6518 Remote Similarity NPD5362 Discontinued
0.6504 Remote Similarity NPD4754 Approved
0.6496 Remote Similarity NPD7515 Phase 2
0.6496 Remote Similarity NPD6050 Approved
0.6491 Remote Similarity NPD4249 Approved
0.6486 Remote Similarity NPD5369 Approved
0.6471 Remote Similarity NPD8074 Phase 3
0.646 Remote Similarity NPD3133 Approved
0.646 Remote Similarity NPD3665 Phase 1
0.646 Remote Similarity NPD4786 Approved
0.646 Remote Similarity NPD3666 Approved
0.6457 Remote Similarity NPD5247 Approved
0.6457 Remote Similarity NPD5248 Approved
0.6457 Remote Similarity NPD5249 Phase 3
0.6457 Remote Similarity NPD5250 Approved
0.6457 Remote Similarity NPD5251 Approved
0.6446 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6429 Remote Similarity NPD4270 Approved
0.6429 Remote Similarity NPD4221 Approved
0.6429 Remote Similarity NPD4269 Approved
0.6429 Remote Similarity NPD4223 Phase 3
0.6417 Remote Similarity NPD5221 Approved
0.6417 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6417 Remote Similarity NPD4697 Phase 3
0.6417 Remote Similarity NPD5222 Approved
0.6412 Remote Similarity NPD8295 Clinical (unspecified phase)
0.641 Remote Similarity NPD5692 Phase 3

Structure

External Identifiers

PubChem CID   24970700
ChEMBL   CHEMBL504455
ZINC  

Physicochemical Properties

Molecular Weight:  516.31
ALogP:  1.1333
MLogP:  3.99
XLogP:  3.984
# Rotatable Bonds:  10
Polar Surface Area:  102.29
# H-Bond Aceptor:  7
# H-Bond Donor:  2
# Rings:  6
# Heavy Atoms:  37

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs