Natural Product: NPC478125

Natural Product ID:  NPC478125
Common Name:   Rediocide D
IUPAC Name:  
Synonyms:   Rediocide D
Molecular Formula:   C46H54O13
Standard InCHIKey:  GBKHBDSGKZALFY-JVCHJWIXSA-N
Standard InCHI:  InChI=1S/C46H54O13/c1-23-21-30-43(51)35(23)54-31(47)20-19-29-34(53-29)33(55-39(48)27-11-7-5-8-12-27)26-17-15-25(16-18-26)22-41(3,50)45(52)36-24(2)44(30)32(37-42(4,56-37)40(43)49)38(45)58-46(57-36,59-44)28-13-9-6-10-14-28/h5-14,19-20,23-26,29-30,32-38,40,49-52H,15-18,21-22H2,1-4H3/b20-19+/t23-,24+,25?,26?,29-,30+,32-,33+,34+,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46?/m0/s1
Canonical SMILES:  O=C1/C=C/[C@@H]2O[C@H]2[C@H](OC(=O)c2ccccc2)C2CCC(CC2)C[C@@]([C@@]2([C@@H]3[C@H]([C@@]45[C@H]6[C@]([C@@H](O1)[C@@H](C)C6)(O)[C@H](O)[C@@]1(C)O[C@H]1[C@H]5[C@H]2OC(O4)(O3)c1ccccc1)C)O)(C)O
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 NPC478125 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
0.9673 High Similarity NPC478124
0.9605 High Similarity NPC319404
0.9542 High Similarity NPC323356
0.9542 High Similarity NPC326328
0.9542 High Similarity NPC471138
0.9542 High Similarity NPC309991
0.9412 High Similarity NPC322048
0.9412 High Similarity NPC318447
0.9346 High Similarity NPC323001
0.9346 High Similarity NPC326235
0.9346 High Similarity NPC290683
0.9346 High Similarity NPC475638
0.9346 High Similarity NPC475548
0.9338 High Similarity NPC478123
0.9216 High Similarity NPC471135
0.9085 High Similarity NPC298072
0.9085 High Similarity NPC62792
0.9006 High Similarity NPC40138
0.9 High Similarity NPC473468
0.9 High Similarity NPC477491
0.9 High Similarity NPC473557
0.9 High Similarity NPC475567
0.8981 High Similarity NPC476784
0.8951 High Similarity NPC477488
0.8947 High Similarity NPC312393
0.8944 High Similarity NPC475198
0.8944 High Similarity NPC475531
0.8944 High Similarity NPC475175
0.8896 High Similarity NPC476173
0.8831 High Similarity NPC76103
0.8766 High Similarity NPC327031
0.8765 High Similarity NPC61891
0.8718 High Similarity NPC96308
0.8693 High Similarity NPC471139
0.865 High Similarity NPC324769
0.865 High Similarity NPC325732
0.8642 High Similarity NPC66193
0.8589 High Similarity NPC471134
0.858 High Similarity NPC477190
0.858 High Similarity NPC43304
0.858 High Similarity NPC477188
0.858 High Similarity NPC275477
0.8571 High Similarity NPC477623
0.8526 High Similarity NPC473760
0.8516 High Similarity NPC472572
0.8516 High Similarity NPC200471
0.8516 High Similarity NPC476973
0.8516 High Similarity NPC177940
0.8516 High Similarity NPC184817
0.8516 High Similarity NPC158663
0.8516 High Similarity NPC174982
0.8516 High Similarity NPC29704
0.8516 High Similarity NPC473088
0.8516 High Similarity NPC471104
0.8516 High Similarity NPC171525
0.8516 High Similarity NPC472575
0.8516 High Similarity NPC472568
0.8516 High Similarity NPC469349
0.8516 High Similarity NPC472571
0.8516 High Similarity NPC470157
0.8516 High Similarity NPC96903
0.8516 High Similarity NPC470159
0.8516 High Similarity NPC70403
0.8497 Intermediate Similarity NPC325078
0.8491 Intermediate Similarity NPC472657
0.8491 Intermediate Similarity NPC472658
0.8471 Intermediate Similarity NPC301556
0.8471 Intermediate Similarity NPC266265
0.8471 Intermediate Similarity NPC471101
0.8471 Intermediate Similarity NPC92293
0.8471 Intermediate Similarity NPC270590
0.8462 Intermediate Similarity NPC473602
0.8462 Intermediate Similarity NPC209592
0.8462 Intermediate Similarity NPC48599
0.8452 Intermediate Similarity NPC475122
0.8452 Intermediate Similarity NPC472569
0.8452 Intermediate Similarity NPC472573
0.8452 Intermediate Similarity NPC11685
0.8452 Intermediate Similarity NPC470152
0.8452 Intermediate Similarity NPC34943
0.8452 Intermediate Similarity NPC70716
0.8452 Intermediate Similarity NPC163719
0.8452 Intermediate Similarity NPC25768
0.8452 Intermediate Similarity NPC125106
0.8452 Intermediate Similarity NPC95265
0.8452 Intermediate Similarity NPC241951
0.8452 Intermediate Similarity NPC472570
0.8452 Intermediate Similarity NPC476974
0.8452 Intermediate Similarity NPC95810
0.8452 Intermediate Similarity NPC57628
0.8452 Intermediate Similarity NPC188865
0.8452 Intermediate Similarity NPC475759
0.8438 Intermediate Similarity NPC469422
0.8438 Intermediate Similarity NPC34066
0.8418 Intermediate Similarity NPC469448
0.8418 Intermediate Similarity NPC31829
0.8415 Intermediate Similarity NPC322420
0.8408 Intermediate Similarity NPC281717
0.8397 Intermediate Similarity NPC472556
0.8395 Intermediate Similarity NPC49297
0.8387 Intermediate Similarity NPC163087
0.8385 Intermediate Similarity NPC154675
0.8377 Intermediate Similarity NPC87448
0.8377 Intermediate Similarity NPC41481
0.8377 Intermediate Similarity NPC97947
0.8377 Intermediate Similarity NPC291599
0.8377 Intermediate Similarity NPC472576
0.8377 Intermediate Similarity NPC16912
0.8377 Intermediate Similarity NPC118080
0.8377 Intermediate Similarity NPC266374
0.8377 Intermediate Similarity NPC27377
0.8354 Intermediate Similarity NPC476975
0.8344 Intermediate Similarity NPC240115
0.8344 Intermediate Similarity NPC20255
0.8344 Intermediate Similarity NPC474935
0.8344 Intermediate Similarity NPC478263
0.8333 Intermediate Similarity NPC181924
0.8323 Intermediate Similarity NPC251139
0.8323 Intermediate Similarity NPC192658
0.8323 Intermediate Similarity NPC469398
0.8313 Intermediate Similarity NPC477905
0.8313 Intermediate Similarity NPC472548
0.8312 Intermediate Similarity NPC275592
0.8312 Intermediate Similarity NPC90614
0.8312 Intermediate Similarity NPC100913
0.8312 Intermediate Similarity NPC171207
0.8312 Intermediate Similarity NPC97667
0.8302 Intermediate Similarity NPC475417
0.8302 Intermediate Similarity NPC475561
0.8302 Intermediate Similarity NPC473214
0.8302 Intermediate Similarity NPC470245
0.8282 Intermediate Similarity NPC469399
0.828 Intermediate Similarity NPC92867
0.828 Intermediate Similarity NPC125882
0.828 Intermediate Similarity NPC478264
0.828 Intermediate Similarity NPC311825
0.8269 Intermediate Similarity NPC91703
0.8258 Intermediate Similarity NPC224491
0.825 Intermediate Similarity NPC470153
0.825 Intermediate Similarity NPC469415
0.8242 Intermediate Similarity NPC475536
0.8242 Intermediate Similarity NPC165234
0.8239 Intermediate Similarity NPC474564
0.8239 Intermediate Similarity NPC473215
0.821 Intermediate Similarity NPC132599
0.821 Intermediate Similarity NPC469456
0.821 Intermediate Similarity NPC473611
0.821 Intermediate Similarity NPC473632
0.821 Intermediate Similarity NPC472549
0.821 Intermediate Similarity NPC469730
0.8205 Intermediate Similarity NPC34012
0.8194 Intermediate Similarity NPC162613
0.8194 Intermediate Similarity NPC4341
0.8194 Intermediate Similarity NPC87934
0.8194 Intermediate Similarity NPC48017
0.8194 Intermediate Similarity NPC200592
0.8194 Intermediate Similarity NPC43241
0.8194 Intermediate Similarity NPC473613
0.8194 Intermediate Similarity NPC473109
0.8194 Intermediate Similarity NPC147880
0.8194 Intermediate Similarity NPC472547
0.8194 Intermediate Similarity NPC476094
0.8194 Intermediate Similarity NPC473758
0.8194 Intermediate Similarity NPC211137
0.8194 Intermediate Similarity NPC473081
0.8194 Intermediate Similarity NPC473112
0.8194 Intermediate Similarity NPC473085
0.8194 Intermediate Similarity NPC184747
0.8194 Intermediate Similarity NPC473060
0.8193 Intermediate Similarity NPC475300
0.8193 Intermediate Similarity NPC473797
0.8193 Intermediate Similarity NPC475437
0.8193 Intermediate Similarity NPC475505
0.8193 Intermediate Similarity NPC473641
0.8193 Intermediate Similarity NPC475464
0.8187 Intermediate Similarity NPC476092
0.8187 Intermediate Similarity NPC70236
0.8187 Intermediate Similarity NPC475447
0.8187 Intermediate Similarity NPC222102
0.8187 Intermediate Similarity NPC303429
0.8187 Intermediate Similarity NPC475218
0.8182 Intermediate Similarity NPC476077
0.8171 Intermediate Similarity NPC186746
0.8166 Intermediate Similarity NPC477466
0.8166 Intermediate Similarity NPC477473
0.8166 Intermediate Similarity NPC477469
0.8166 Intermediate Similarity NPC477471
0.8153 Intermediate Similarity NPC147217
0.8153 Intermediate Similarity NPC131966
0.8153 Intermediate Similarity NPC177340
0.8153 Intermediate Similarity NPC473673
0.8153 Intermediate Similarity NPC139067
0.8153 Intermediate Similarity NPC477894
0.8153 Intermediate Similarity NPC270498
0.8153 Intermediate Similarity NPC191082
0.8153 Intermediate Similarity NPC191387
0.8153 Intermediate Similarity NPC475429
0.8153 Intermediate Similarity NPC246480
0.8148 Intermediate Similarity NPC146310
0.8129 Intermediate Similarity NPC214550

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478125 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
0.7907 Intermediate Similarity NPD7799 Discontinued
0.7716 Intermediate Similarity NPD7236 Approved
0.7627 Intermediate Similarity NPD7685 Pre-registration
0.759 Intermediate Similarity NPD7239 Suspended
0.7557 Intermediate Similarity NPD8470 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD8368 Discontinued
0.7213 Intermediate Similarity NPD8407 Phase 2
0.7184 Intermediate Similarity NPD7058 Phase 2
0.7184 Intermediate Similarity NPD7057 Phase 3
0.7166 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD8313 Approved
0.7158 Intermediate Similarity NPD8312 Approved
0.7151 Intermediate Similarity NPD8361 Approved
0.7151 Intermediate Similarity NPD8360 Approved
0.7151 Intermediate Similarity NPD8435 Approved
0.7135 Intermediate Similarity NPD8424 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD7228 Approved
0.7089 Intermediate Similarity NPD6007 Clinical (unspecified phase)
0.7069 Intermediate Similarity NPD8455 Phase 2
0.7043 Intermediate Similarity NPD8150 Discontinued
0.7037 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7022 Intermediate Similarity NPD8127 Discontinued
0.6995 Remote Similarity NPD8486 Clinical (unspecified phase)
0.6974 Remote Similarity NPD7497 Discontinued
0.6968 Remote Similarity NPD5125 Phase 3
0.6968 Remote Similarity NPD5126 Approved
0.6959 Remote Similarity NPD6273 Approved
0.6957 Remote Similarity NPD7240 Approved
0.6952 Remote Similarity NPD8434 Phase 2
0.6939 Remote Similarity NPD8320 Phase 1
0.6939 Remote Similarity NPD8319 Approved
0.6923 Remote Similarity NPD3751 Discontinued
0.6914 Remote Similarity NPD37 Approved
0.6893 Remote Similarity NPD4967 Phase 2
0.6893 Remote Similarity NPD4965 Approved
0.6893 Remote Similarity NPD4966 Approved
0.6891 Remote Similarity NPD7699 Phase 2
0.6891 Remote Similarity NPD7700 Phase 2
0.6889 Remote Similarity NPD3787 Discontinued
0.6886 Remote Similarity NPD7266 Discontinued
0.6885 Remote Similarity NPD5844 Phase 1
0.6878 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6848 Remote Similarity NPD7074 Phase 3
0.6839 Remote Similarity NPD8485 Approved
0.6839 Remote Similarity NPD7741 Discontinued
0.6833 Remote Similarity NPD7199 Phase 2
0.6816 Remote Similarity NPD6234 Discontinued
0.6793 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7961 Discontinued
0.6743 Remote Similarity NPD7458 Discontinued
0.6736 Remote Similarity NPD6535 Approved
0.6736 Remote Similarity NPD6534 Approved
0.6725 Remote Similarity NPD6190 Approved
0.672 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7435 Discontinued
0.6705 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6704 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6703 Remote Similarity NPD7054 Approved
0.6688 Remote Similarity NPD8378 Approved
0.6688 Remote Similarity NPD8380 Approved
0.6688 Remote Similarity NPD8296 Approved
0.6688 Remote Similarity NPD8335 Approved
0.6688 Remote Similarity NPD8379 Approved
0.6685 Remote Similarity NPD7819 Suspended
0.6684 Remote Similarity NPD6559 Discontinued
0.6667 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7472 Approved
0.6667 Remote Similarity NPD4628 Phase 3
0.6667 Remote Similarity NPD8166 Discontinued
0.6667 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6649 Remote Similarity NPD7808 Phase 3
0.6646 Remote Similarity NPD7008 Discontinued
0.6633 Remote Similarity NPD7698 Approved
0.6633 Remote Similarity NPD7697 Approved
0.6633 Remote Similarity NPD7696 Phase 3
0.6624 Remote Similarity NPD8377 Approved
0.6624 Remote Similarity NPD8294 Approved
0.661 Remote Similarity NPD4380 Phase 2
0.6606 Remote Similarity NPD3764 Approved
0.6604 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6601 Remote Similarity NPD7874 Approved
0.6601 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7251 Discontinued
0.6592 Remote Similarity NPD5760 Phase 2
0.6592 Remote Similarity NPD5761 Phase 2
0.6592 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6588 Remote Similarity NPD5762 Approved
0.6588 Remote Similarity NPD5763 Approved
0.6584 Remote Similarity NPD7701 Phase 2
0.6583 Remote Similarity NPD6823 Phase 2
0.6582 Remote Similarity NPD8033 Approved
0.6575 Remote Similarity NPD7075 Discontinued
0.6569 Remote Similarity NPD7783 Phase 2
0.6569 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6566 Remote Similarity NPD6781 Approved
0.6566 Remote Similarity NPD6777 Approved
0.6566 Remote Similarity NPD6776 Approved
0.6566 Remote Similarity NPD6779 Approved
0.6566 Remote Similarity NPD6780 Approved
0.6566 Remote Similarity NPD6782 Approved
0.6566 Remote Similarity NPD6778 Approved
0.6561 Remote Similarity NPD7516 Approved
0.6554 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6552 Remote Similarity NPD8151 Discontinued
0.6543 Remote Similarity NPD6797 Phase 2
0.6541 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6541 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6541 Remote Similarity NPD6166 Phase 2
0.6534 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6522 Remote Similarity NPD7507 Approved
0.6517 Remote Similarity NPD7871 Phase 2
0.6517 Remote Similarity NPD7870 Phase 2
0.6517 Remote Similarity NPD7028 Phase 2
0.6514 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6509 Remote Similarity NPD7097 Phase 1
0.6508 Remote Similarity NPD6765 Approved
0.6508 Remote Similarity NPD6764 Approved
0.6505 Remote Similarity NPD7473 Discontinued
0.6503 Remote Similarity NPD5494 Approved
0.6503 Remote Similarity NPD7319 Approved
0.6497 Remote Similarity NPD7328 Approved
0.6497 Remote Similarity NPD7327 Approved
0.6491 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6488 Remote Similarity NPD7801 Approved
0.6485 Remote Similarity NPD7999 Approved
0.6478 Remote Similarity NPD7503 Approved
0.6477 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6474 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6474 Remote Similarity NPD2629 Approved
0.6471 Remote Similarity NPD3818 Discontinued
0.6468 Remote Similarity NPD7680 Approved
0.6467 Remote Similarity NPD6663 Approved
0.6464 Remote Similarity NPD5402 Approved
0.6464 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6461 Remote Similarity NPD6591 Clinical (unspecified phase)
0.6457 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6456 Remote Similarity NPD8462 Phase 1
0.6452 Remote Similarity NPD7094 Approved
0.6452 Remote Similarity NPD6858 Approved
0.6437 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6433 Remote Similarity NPD4198 Discontinued
0.6432 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6432 Remote Similarity NPD6232 Discontinued
0.6429 Remote Similarity NPD7768 Phase 2
0.6429 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6213 Phase 3
0.6429 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6212 Phase 3
0.6424 Remote Similarity NPD5736 Approved
0.6404 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6395 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6395 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6395 Remote Similarity NPD6005 Phase 3
0.6395 Remote Similarity NPD6004 Phase 3
0.6395 Remote Similarity NPD6002 Phase 3
0.6394 Remote Similarity NPD7930 Approved
0.6391 Remote Similarity NPD6355 Discontinued
0.6389 Remote Similarity NPD7411 Suspended
0.6382 Remote Similarity NPD6685 Approved
0.6379 Remote Similarity NPD7003 Approved
0.6378 Remote Similarity NPD6959 Discontinued
0.6373 Remote Similarity NPD6785 Approved
0.6373 Remote Similarity NPD6784 Approved
0.6369 Remote Similarity NPD5951 Approved
0.6364 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6354 Remote Similarity NPD6801 Discontinued
0.6352 Remote Similarity NPD7610 Discontinued
0.635 Remote Similarity NPD8285 Discontinued
0.6348 Remote Similarity NPD5403 Approved
0.6346 Remote Similarity NPD8133 Approved
0.6328 Remote Similarity NPD5401 Approved
0.6322 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6322 Remote Similarity NPD6674 Discontinued
0.6319 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6319 Remote Similarity NPD1465 Phase 2
0.6301 Remote Similarity NPD2346 Discontinued
0.6299 Remote Similarity NPD2182 Approved
0.6291 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6286 Remote Similarity NPD3750 Approved
0.6286 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6284 Remote Similarity NPD3817 Phase 2
0.6278 Remote Similarity NPD3226 Approved
0.6277 Remote Similarity NPD7997 Clinical (unspecified phase)
0.6265 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6265 Remote Similarity NPD6085 Phase 2
0.6264 Remote Similarity NPD1934 Approved
0.6257 Remote Similarity NPD6653 Approved
0.6256 Remote Similarity NPD8404 Phase 2
0.6243 Remote Similarity NPD6599 Discontinued
0.6243 Remote Similarity NPD5408 Approved
0.6243 Remote Similarity NPD2935 Discontinued
0.6243 Remote Similarity NPD5404 Approved
0.6243 Remote Similarity NPD5406 Approved
0.6243 Remote Similarity NPD5405 Approved
0.6236 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6235 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6235 Remote Similarity NPD4140 Approved
0.6218 Remote Similarity NPD4141 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11388753
ChEMBL   CHEMBL510736
ZINC  

Physicochemical Properties

Molecular Weight:  814.36
ALogP:  -2.4025
MLogP:  5.09
XLogP:  7.861
# Rotatable Bonds:  12
Polar Surface Area:  186.27
# H-Bond Aceptor:  13
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  59

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Biological Activities  
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