Natural Product: NPC478123

Natural Product ID:  NPC478123
Common Name:   Rediocide B
IUPAC Name:  
Synonyms:  
Molecular Formula:   C44H58O13
Standard InCHIKey:  QVIUACDGRCSSBR-KAPDSDJUSA-N
Standard InCHI:  InChI=1S/C44H58O13/c1-23(2)19-32(47)52-29-13-9-10-14-31(46)53-34-24(3)20-30-41(34,50)38(48)40(22-45)36(54-40)33-37-43(51,39(5,49)21-26-15-17-27(29)18-16-26)35-25(4)42(30,33)57-44(55-35,56-37)28-11-7-6-8-12-28/h6-14,23-27,29-30,33-38,45,48-51H,15-22H2,1-5H3/b13-9+,14-10+/t24-,25+,26?,27?,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
Canonical SMILES:  OC[C@@]12O[C@H]2[C@H]2[C@H]3OC4(O[C@]52[C@H]2[C@@]([C@@H]1O)(O)[C@@H](OC(=O)/C=C/C=C/[C@@H](C1CCC(C[C@@]([C@]3(O)[C@H]([C@H]5C)O4)(C)O)CC1)OC(=O)CC(C)C)[C@H](C2)C)c1ccccc1
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
NPO17790 Trigonostemon reidioides Species Euphorbiaceae Eukaryota roots Rat Buri Province, Thailand 1988-DEC PMID[14987064]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2523 Organism Ctenocephalides felis Ctenocephalides felis LD90 = 0.25 ppm 14987064

  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 NPC478123 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
0.972 High Similarity NPC62792
0.9583 High Similarity NPC298072
0.9338 High Similarity NPC478125
0.9301 High Similarity NPC471139
0.9272 High Similarity NPC478124
0.9267 High Similarity NPC471138
0.9267 High Similarity NPC323356
0.9267 High Similarity NPC326328
0.9267 High Similarity NPC309991
0.92 High Similarity NPC319404
0.9195 High Similarity NPC290683
0.9195 High Similarity NPC475548
0.9195 High Similarity NPC475638
0.9133 High Similarity NPC322048
0.9133 High Similarity NPC318447
0.9067 High Similarity NPC323001
0.9067 High Similarity NPC326235
0.906 High Similarity NPC471135
0.8846 High Similarity NPC477491
0.8784 High Similarity NPC312393
0.8734 High Similarity NPC40138
0.8733 High Similarity NPC476173
0.8701 High Similarity NPC476784
0.8699 High Similarity NPC325078
0.8679 High Similarity NPC477488
0.8667 High Similarity NPC474564
0.8654 High Similarity NPC275477
0.8609 High Similarity NPC476092
0.8609 High Similarity NPC475218
0.8609 High Similarity NPC475447
0.8609 High Similarity NPC70236
0.8608 High Similarity NPC473557
0.8608 High Similarity NPC475567
0.8608 High Similarity NPC473468
0.86 High Similarity NPC327031
0.8581 High Similarity NPC49297
0.8571 High Similarity NPC154675
0.8553 High Similarity NPC475198
0.8553 High Similarity NPC475531
0.8553 High Similarity NPC475175
0.8543 High Similarity NPC76103
0.8516 High Similarity NPC181924
0.8491 Intermediate Similarity NPC61891
0.8491 Intermediate Similarity NPC325732
0.8491 Intermediate Similarity NPC324769
0.8487 Intermediate Similarity NPC475561
0.8487 Intermediate Similarity NPC475417
0.8431 Intermediate Similarity NPC96308
0.8418 Intermediate Similarity NPC477190
0.8418 Intermediate Similarity NPC43304
0.8418 Intermediate Similarity NPC477188
0.8365 Intermediate Similarity NPC66193
0.8323 Intermediate Similarity NPC146310
0.8323 Intermediate Similarity NPC472658
0.8323 Intermediate Similarity NPC472657
0.8313 Intermediate Similarity NPC471134
0.8302 Intermediate Similarity NPC165234
0.8302 Intermediate Similarity NPC475536
0.8289 Intermediate Similarity NPC473602
0.8278 Intermediate Similarity NPC34943
0.8267 Intermediate Similarity NPC473755
0.8267 Intermediate Similarity NPC475513
0.825 Intermediate Similarity NPC475437
0.825 Intermediate Similarity NPC475464
0.825 Intermediate Similarity NPC322420
0.825 Intermediate Similarity NPC473797
0.825 Intermediate Similarity NPC475505
0.825 Intermediate Similarity NPC473641
0.825 Intermediate Similarity NPC475300
0.8235 Intermediate Similarity NPC473760
0.8224 Intermediate Similarity NPC472571
0.8224 Intermediate Similarity NPC174982
0.8224 Intermediate Similarity NPC472572
0.8224 Intermediate Similarity NPC70403
0.8224 Intermediate Similarity NPC471104
0.8224 Intermediate Similarity NPC29704
0.8224 Intermediate Similarity NPC476973
0.8224 Intermediate Similarity NPC473088
0.8224 Intermediate Similarity NPC472575
0.8224 Intermediate Similarity NPC472568
0.8224 Intermediate Similarity NPC200471
0.8224 Intermediate Similarity NPC470159
0.8224 Intermediate Similarity NPC470157
0.8224 Intermediate Similarity NPC177940
0.8224 Intermediate Similarity NPC158663
0.8224 Intermediate Similarity NPC171525
0.8224 Intermediate Similarity NPC96903
0.8224 Intermediate Similarity NPC469349
0.8224 Intermediate Similarity NPC184817
0.82 Intermediate Similarity NPC16912
0.82 Intermediate Similarity NPC87448
0.82 Intermediate Similarity NPC41481
0.82 Intermediate Similarity NPC97947
0.82 Intermediate Similarity NPC118080
0.82 Intermediate Similarity NPC291599
0.82 Intermediate Similarity NPC472576
0.82 Intermediate Similarity NPC27377
0.8182 Intermediate Similarity NPC266265
0.8182 Intermediate Similarity NPC92293
0.8182 Intermediate Similarity NPC301556
0.8182 Intermediate Similarity NPC471101
0.8182 Intermediate Similarity NPC270590
0.8176 Intermediate Similarity NPC477623
0.817 Intermediate Similarity NPC209592
0.817 Intermediate Similarity NPC240115
0.817 Intermediate Similarity NPC48599
0.817 Intermediate Similarity NPC20255
0.817 Intermediate Similarity NPC478263
0.8158 Intermediate Similarity NPC70716
0.8158 Intermediate Similarity NPC95810
0.8158 Intermediate Similarity NPC125106
0.8158 Intermediate Similarity NPC241951
0.8158 Intermediate Similarity NPC57628
0.8158 Intermediate Similarity NPC472573
0.8158 Intermediate Similarity NPC476974
0.8158 Intermediate Similarity NPC472570
0.8158 Intermediate Similarity NPC472569
0.8158 Intermediate Similarity NPC470152
0.8158 Intermediate Similarity NPC95265
0.8158 Intermediate Similarity NPC475122
0.8158 Intermediate Similarity NPC475759
0.8158 Intermediate Similarity NPC163719
0.8158 Intermediate Similarity NPC188865
0.8158 Intermediate Similarity NPC25768
0.8158 Intermediate Similarity NPC11685
0.8153 Intermediate Similarity NPC469422
0.8153 Intermediate Similarity NPC34066
0.8153 Intermediate Similarity NPC251139
0.8153 Intermediate Similarity NPC471176
0.8146 Intermediate Similarity NPC192658
0.8133 Intermediate Similarity NPC90614
0.8133 Intermediate Similarity NPC97667
0.8133 Intermediate Similarity NPC171207
0.8133 Intermediate Similarity NPC100913
0.8133 Intermediate Similarity NPC275592
0.8129 Intermediate Similarity NPC31829
0.8129 Intermediate Similarity NPC469448
0.8117 Intermediate Similarity NPC281717
0.8105 Intermediate Similarity NPC92867
0.8105 Intermediate Similarity NPC472556
0.8105 Intermediate Similarity NPC311825
0.8105 Intermediate Similarity NPC125882
0.8105 Intermediate Similarity NPC478264
0.8092 Intermediate Similarity NPC91703
0.8092 Intermediate Similarity NPC163087
0.8079 Intermediate Similarity NPC266374
0.8077 Intermediate Similarity NPC469415
0.8065 Intermediate Similarity NPC476975
0.8056 Intermediate Similarity NPC476971
0.8056 Intermediate Similarity NPC476972
0.8052 Intermediate Similarity NPC474935
0.8038 Intermediate Similarity NPC473611
0.8038 Intermediate Similarity NPC473632
0.8038 Intermediate Similarity NPC469456
0.8038 Intermediate Similarity NPC132599
0.8038 Intermediate Similarity NPC469730
0.8038 Intermediate Similarity NPC469398
0.8027 Intermediate Similarity NPC476976
0.8026 Intermediate Similarity NPC34012
0.8025 Intermediate Similarity NPC269668
0.8025 Intermediate Similarity NPC472548
0.8025 Intermediate Similarity NPC477905
0.8013 Intermediate Similarity NPC470245
0.8013 Intermediate Similarity NPC87934
0.8013 Intermediate Similarity NPC472547
0.8013 Intermediate Similarity NPC303429
0.8013 Intermediate Similarity NPC473214
0.8013 Intermediate Similarity NPC162613
0.8013 Intermediate Similarity NPC222102
0.8 Intermediate Similarity NPC58061
0.8 Intermediate Similarity NPC469399
0.7988 Intermediate Similarity NPC475613
0.7986 Intermediate Similarity NPC476970
0.7986 Intermediate Similarity NPC475933
0.7986 Intermediate Similarity NPC470158
0.7975 Intermediate Similarity NPC77310
0.7974 Intermediate Similarity NPC477894
0.7974 Intermediate Similarity NPC131966
0.7974 Intermediate Similarity NPC191387
0.7962 Intermediate Similarity NPC470153
0.7961 Intermediate Similarity NPC224491
0.7959 Intermediate Similarity NPC476977
0.7949 Intermediate Similarity NPC473215
0.7947 Intermediate Similarity NPC9905
0.7925 Intermediate Similarity NPC472549
0.7917 Intermediate Similarity NPC284022
0.7917 Intermediate Similarity NPC473083
0.7911 Intermediate Similarity NPC469647
0.7911 Intermediate Similarity NPC22571
0.7911 Intermediate Similarity NPC283875
0.7911 Intermediate Similarity NPC138641
0.7911 Intermediate Similarity NPC469648
0.7911 Intermediate Similarity NPC233581
0.7911 Intermediate Similarity NPC145649
0.7907 Intermediate Similarity NPC186746
0.7901 Intermediate Similarity NPC476077
0.7895 Intermediate Similarity NPC476094
0.7895 Intermediate Similarity NPC4341
0.7895 Intermediate Similarity NPC184747
0.7895 Intermediate Similarity NPC473060

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478123 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
0.7738 Intermediate Similarity NPD7799 Discontinued
0.7532 Intermediate Similarity NPD7236 Approved
0.7486 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7239 Suspended
0.7384 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD7685 Pre-registration
0.7329 Intermediate Similarity NPD5126 Approved
0.7329 Intermediate Similarity NPD5125 Phase 3
0.731 Intermediate Similarity NPD7741 Discontinued
0.7215 Intermediate Similarity NPD7266 Discontinued
0.7161 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD8127 Discontinued
0.7126 Intermediate Similarity NPD7228 Approved
0.7062 Intermediate Similarity NPD8368 Discontinued
0.7039 Intermediate Similarity NPD8407 Phase 2
0.7027 Intermediate Similarity NPD8296 Approved
0.7027 Intermediate Similarity NPD8379 Approved
0.7027 Intermediate Similarity NPD8380 Approved
0.7027 Intermediate Similarity NPD8335 Approved
0.7027 Intermediate Similarity NPD8378 Approved
0.7027 Intermediate Similarity NPD8033 Approved
0.7007 Intermediate Similarity NPD7516 Approved
0.7 Intermediate Similarity NPD7057 Phase 3
0.7 Intermediate Similarity NPD5762 Approved
0.7 Intermediate Similarity NPD7058 Phase 2
0.7 Intermediate Similarity NPD5763 Approved
0.6982 Remote Similarity NPD8455 Phase 2
0.6968 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6966 Remote Similarity NPD7240 Approved
0.6959 Remote Similarity NPD8294 Approved
0.6959 Remote Similarity NPD8377 Approved
0.6939 Remote Similarity NPD7327 Approved
0.6939 Remote Similarity NPD7328 Approved
0.6923 Remote Similarity NPD37 Approved
0.6918 Remote Similarity NPD7097 Phase 1
0.6913 Remote Similarity NPD7503 Approved
0.6902 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6901 Remote Similarity NPD4965 Approved
0.6901 Remote Similarity NPD4967 Phase 2
0.6901 Remote Similarity NPD4966 Approved
0.6889 Remote Similarity NPD8312 Approved
0.6889 Remote Similarity NPD8313 Approved
0.6885 Remote Similarity NPD8435 Approved
0.6885 Remote Similarity NPD8361 Approved
0.6885 Remote Similarity NPD8360 Approved
0.6883 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6871 Remote Similarity NPD4198 Discontinued
0.6868 Remote Similarity NPD8424 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7199 Phase 2
0.6829 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6821 Remote Similarity NPD6234 Discontinued
0.6807 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6806 Remote Similarity NPD7497 Discontinued
0.6776 Remote Similarity NPD8150 Discontinued
0.6768 Remote Similarity NPD8166 Discontinued
0.6742 Remote Similarity NPD3751 Discontinued
0.6737 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6731 Remote Similarity NPD5736 Approved
0.6727 Remote Similarity NPD6190 Approved
0.6713 Remote Similarity NPD6685 Approved
0.6707 Remote Similarity NPD6674 Discontinued
0.6705 Remote Similarity NPD3787 Discontinued
0.6685 Remote Similarity NPD8434 Phase 2
0.6667 Remote Similarity NPD6273 Approved
0.6667 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6632 Remote Similarity NPD7700 Phase 2
0.6632 Remote Similarity NPD7699 Phase 2
0.6625 Remote Similarity NPD4140 Approved
0.6623 Remote Similarity NPD7507 Approved
0.6613 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6611 Remote Similarity NPD5844 Phase 1
0.6608 Remote Similarity NPD7028 Phase 2
0.6603 Remote Similarity NPD7319 Approved
0.6603 Remote Similarity NPD3094 Phase 2
0.6598 Remote Similarity NPD8320 Phase 1
0.6598 Remote Similarity NPD8319 Approved
0.6584 Remote Similarity NPD5735 Approved
0.6579 Remote Similarity NPD8485 Approved
0.6562 Remote Similarity NPD6663 Approved
0.6562 Remote Similarity NPD7961 Discontinued
0.6554 Remote Similarity NPD6858 Approved
0.6554 Remote Similarity NPD7094 Approved
0.6543 Remote Similarity NPD6653 Approved
0.6519 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6503 Remote Similarity NPD5765 Approved
0.6491 Remote Similarity NPD1653 Approved
0.6486 Remote Similarity NPD6912 Phase 3
0.6485 Remote Similarity NPD6005 Phase 3
0.6485 Remote Similarity NPD6004 Phase 3
0.6485 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6485 Remote Similarity NPD6002 Phase 3
0.6485 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6484 Remote Similarity NPD7074 Phase 3
0.6474 Remote Similarity NPD6535 Approved
0.6474 Remote Similarity NPD6534 Approved
0.6467 Remote Similarity NPD2629 Approved
0.6462 Remote Similarity NPD7435 Discontinued
0.6462 Remote Similarity NPD7680 Approved
0.6453 Remote Similarity NPD7458 Discontinued
0.6452 Remote Similarity NPD3092 Approved
0.6448 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7054 Approved
0.6425 Remote Similarity NPD7237 Clinical (unspecified phase)
0.642 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6413 Remote Similarity NPD6559 Discontinued
0.6412 Remote Similarity NPD7004 Clinical (unspecified phase)
0.64 Remote Similarity NPD4869 Clinical (unspecified phase)
0.64 Remote Similarity NPD5760 Phase 2
0.64 Remote Similarity NPD5761 Phase 2
0.64 Remote Similarity NPD7819 Suspended
0.6393 Remote Similarity NPD7472 Approved
0.6389 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6387 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6384 Remote Similarity NPD4381 Clinical (unspecified phase)
0.638 Remote Similarity NPD5123 Clinical (unspecified phase)
0.638 Remote Similarity NPD5124 Phase 1
0.638 Remote Similarity NPD6355 Discontinued
0.6378 Remote Similarity NPD7808 Phase 3
0.6378 Remote Similarity NPD7696 Phase 3
0.6378 Remote Similarity NPD7698 Approved
0.6378 Remote Similarity NPD7697 Approved
0.6376 Remote Similarity NPD969 Suspended
0.6369 Remote Similarity NPD4628 Phase 3
0.6369 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6369 Remote Similarity NPD7982 Clinical (unspecified phase)
0.6353 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6352 Remote Similarity NPD6085 Phase 2
0.6352 Remote Similarity NPD5740 Clinical (unspecified phase)
0.635 Remote Similarity NPD7875 Clinical (unspecified phase)
0.635 Remote Similarity NPD7874 Approved
0.6335 Remote Similarity NPD7008 Discontinued
0.6333 Remote Similarity NPD8133 Approved
0.6332 Remote Similarity NPD7701 Phase 2
0.6327 Remote Similarity NPD6823 Phase 2
0.6324 Remote Similarity NPD6765 Approved
0.6324 Remote Similarity NPD6764 Approved
0.6324 Remote Similarity NPD7251 Discontinued
0.6322 Remote Similarity NPD4380 Phase 2
0.6319 Remote Similarity NPD3620 Phase 2
0.6319 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6308 Remote Similarity NPD6776 Approved
0.6308 Remote Similarity NPD6781 Approved
0.6308 Remote Similarity NPD6780 Approved
0.6308 Remote Similarity NPD6779 Approved
0.6308 Remote Similarity NPD6782 Approved
0.6308 Remote Similarity NPD6778 Approved
0.6308 Remote Similarity NPD6777 Approved
0.6307 Remote Similarity NPD7096 Clinical (unspecified phase)
0.63 Remote Similarity NPD8151 Discontinued
0.6296 Remote Similarity NPD7985 Registered
0.6296 Remote Similarity NPD3764 Approved
0.6292 Remote Similarity NPD7075 Discontinued
0.6276 Remote Similarity NPD6647 Phase 2
0.6272 Remote Similarity NPD7488 Clinical (unspecified phase)
0.627 Remote Similarity NPD6797 Phase 2
0.6264 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6264 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6264 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6264 Remote Similarity NPD6166 Phase 2
0.6263 Remote Similarity NPD7870 Phase 2
0.6263 Remote Similarity NPD7871 Phase 2
0.625 Remote Similarity NPD5344 Discontinued
0.6243 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6242 Remote Similarity NPD6353 Approved
0.6238 Remote Similarity NPD7783 Phase 2
0.6238 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6238 Remote Similarity NPD7801 Approved
0.6235 Remote Similarity NPD7095 Approved
0.6231 Remote Similarity NPD7999 Approved
0.623 Remote Similarity NPD7473 Discontinued
0.6226 Remote Similarity NPD7736 Approved
0.6222 Remote Similarity NPD5494 Approved
0.6218 Remote Similarity NPD3095 Discontinued
0.6211 Remote Similarity NPD2861 Phase 2
0.6209 Remote Similarity NPD7115 Discovery
0.6207 Remote Similarity NPD8462 Phase 1
0.6205 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6203 Remote Similarity NPD4338 Clinical (unspecified phase)
0.62 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6199 Remote Similarity NPD5058 Phase 3
0.6196 Remote Similarity NPD3818 Discontinued
0.6194 Remote Similarity NPD3091 Approved
0.619 Remote Similarity NPD6785 Approved
0.619 Remote Similarity NPD7702 Clinical (unspecified phase)
0.619 Remote Similarity NPD6784 Approved
0.6188 Remote Similarity NPD6362 Approved
0.6181 Remote Similarity NPD6648 Approved
0.618 Remote Similarity NPD8443 Clinical (unspecified phase)
0.618 Remote Similarity NPD5402 Approved
0.6171 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6168 Remote Similarity NPD7033 Discontinued
0.6166 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6166 Remote Similarity NPD6213 Phase 3
0.6166 Remote Similarity NPD6212 Phase 3
0.6164 Remote Similarity NPD5327 Phase 3
0.6164 Remote Similarity NPD7876 Discontinued
0.6159 Remote Similarity NPD8032 Phase 2
0.6159 Remote Similarity NPD6233 Phase 2
0.6154 Remote Similarity NPD8513 Phase 3

Structure

External Identifiers

PubChem CID   16153986
ChEMBL   CHEMBL503911
ZINC  

Physicochemical Properties

Molecular Weight:  794.39
ALogP:  -1.9603
MLogP:  4.87
XLogP:  6.34
# Rotatable Bonds:  16
Polar Surface Area:  193.97
# H-Bond Aceptor:  13
# H-Bond Donor:  5
# Rings:  5
# Heavy Atoms:  57

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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