Natural Product: NPC477361

Natural Product ID:  NPC477361
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H34O5
Standard InCHIKey:  NGGOVTJUPVNNNR-YIONYMPKSA-N
Standard InCHI:  InChI=1S/C24H34O5/c1-13-8-9-18-19(23(18,6)7)11-14(2)22(27)24(29-17(5)26)12-15(3)21(20(24)10-13)28-16(4)25/h10-11,15,18-21H,8-9,12H2,1-7H3/b13-10+,14-11+/t15-,18-,19-,20-,21-,24+/m0/s1
Canonical SMILES:  CC(=O)O[C@]12C[C@@H]([C@@H]([C@@H]1/C=C(C)/CC[C@H]1[C@H](/C=C(/C2=O)C)C1(C)C)OC(=O)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
NPO28682 Jatropha multifida Species Euphorbiaceae Eukaryota stems Botanical Garden, Osmania University, Hyderabad, Andhra Pradesh 2006-AUG PMID[21534583]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity < 30 % 21534583

  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 NPC477361 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
1.0 High Similarity NPC202824
0.9663 High Similarity NPC477354
0.9556 High Similarity NPC87090
0.9247 High Similarity NPC477356
0.9239 High Similarity NPC477355
0.9149 High Similarity NPC118405
0.8495 Intermediate Similarity NPC125180
0.8431 Intermediate Similarity NPC475495
0.84 Intermediate Similarity NPC470192
0.8367 Intermediate Similarity NPC308351
0.8367 Intermediate Similarity NPC271266
0.835 Intermediate Similarity NPC477093
0.835 Intermediate Similarity NPC475277
0.835 Intermediate Similarity NPC473522
0.8247 Intermediate Similarity NPC470188
0.8191 Intermediate Similarity NPC221282
0.8182 Intermediate Similarity NPC471757
0.8182 Intermediate Similarity NPC105725
0.8182 Intermediate Similarity NPC78127
0.8137 Intermediate Similarity NPC470269
0.8119 Intermediate Similarity NPC470267
0.8111 Intermediate Similarity NPC475622
0.8111 Intermediate Similarity NPC108045
0.809 Intermediate Similarity NPC286229
0.8037 Intermediate Similarity NPC475305
0.802 Intermediate Similarity NPC235889
0.8 Intermediate Similarity NPC49393
0.7963 Intermediate Similarity NPC475401
0.7957 Intermediate Similarity NPC471739
0.7941 Intermediate Similarity NPC181265
0.7938 Intermediate Similarity NPC470978
0.7938 Intermediate Similarity NPC470974
0.7917 Intermediate Similarity NPC109414
0.7905 Intermediate Similarity NPC231589
0.7905 Intermediate Similarity NPC214797
0.7905 Intermediate Similarity NPC118860
0.789 Intermediate Similarity NPC477092
0.7885 Intermediate Similarity NPC258543
0.7885 Intermediate Similarity NPC241927
0.7865 Intermediate Similarity NPC469620
0.7865 Intermediate Similarity NPC471740
0.7865 Intermediate Similarity NPC469690
0.783 Intermediate Similarity NPC170487
0.7826 Intermediate Similarity NPC475796
0.7767 Intermediate Similarity NPC291643
0.7753 Intermediate Similarity NPC474056
0.7727 Intermediate Similarity NPC226242
0.7723 Intermediate Similarity NPC477950
0.7723 Intermediate Similarity NPC471767
0.77 Intermediate Similarity NPC222011
0.7692 Intermediate Similarity NPC44063
0.7684 Intermediate Similarity NPC475902
0.7667 Intermediate Similarity NPC622
0.7667 Intermediate Similarity NPC276647
0.7664 Intermediate Similarity NPC71348
0.766 Intermediate Similarity NPC469676
0.7647 Intermediate Similarity NPC250594
0.7615 Intermediate Similarity NPC270958
0.7604 Intermediate Similarity NPC305039
0.7604 Intermediate Similarity NPC474679
0.76 Intermediate Similarity NPC69385
0.7593 Intermediate Similarity NPC202889
0.7582 Intermediate Similarity NPC304795
0.7576 Intermediate Similarity NPC474490
0.757 Intermediate Similarity NPC43775
0.7547 Intermediate Similarity NPC471934
0.7547 Intermediate Similarity NPC304495
0.7547 Intermediate Similarity NPC2766
0.7527 Intermediate Similarity NPC474703
0.7526 Intermediate Similarity NPC329857
0.7526 Intermediate Similarity NPC471818
0.7526 Intermediate Similarity NPC469718
0.7525 Intermediate Similarity NPC54843
0.7525 Intermediate Similarity NPC176845
0.75 Intermediate Similarity NPC221144
0.75 Intermediate Similarity NPC167049
0.75 Intermediate Similarity NPC121036
0.75 Intermediate Similarity NPC137657
0.75 Intermediate Similarity NPC100267
0.75 Intermediate Similarity NPC471325
0.75 Intermediate Similarity NPC469691
0.75 Intermediate Similarity NPC475524
0.75 Intermediate Similarity NPC169843
0.75 Intermediate Similarity NPC472674
0.75 Intermediate Similarity NPC310586
0.75 Intermediate Similarity NPC255580
0.75 Intermediate Similarity NPC39411
0.7477 Intermediate Similarity NPC118638
0.7476 Intermediate Similarity NPC15396
0.7475 Intermediate Similarity NPC294266
0.7475 Intermediate Similarity NPC476596
0.7474 Intermediate Similarity NPC70422
0.7474 Intermediate Similarity NPC474045
0.7474 Intermediate Similarity NPC104961
0.7474 Intermediate Similarity NPC70555
0.7474 Intermediate Similarity NPC261253
0.7449 Intermediate Similarity NPC150978
0.7449 Intermediate Similarity NPC123177
0.7449 Intermediate Similarity NPC74103
0.7449 Intermediate Similarity NPC70595
0.7449 Intermediate Similarity NPC20713
0.7449 Intermediate Similarity NPC290651
0.7444 Intermediate Similarity NPC276769
0.7416 Intermediate Similarity NPC251435
0.7416 Intermediate Similarity NPC469669
0.7416 Intermediate Similarity NPC469678
0.7416 Intermediate Similarity NPC475771
0.7414 Intermediate Similarity NPC8990
0.7404 Intermediate Similarity NPC470839
0.74 Intermediate Similarity NPC163228
0.7396 Intermediate Similarity NPC471738
0.7396 Intermediate Similarity NPC197333
0.7386 Intermediate Similarity NPC92909
0.7386 Intermediate Similarity NPC107783
0.7374 Intermediate Similarity NPC476598
0.7374 Intermediate Similarity NPC476597
0.7353 Intermediate Similarity NPC252295
0.735 Intermediate Similarity NPC477369
0.7347 Intermediate Similarity NPC477711
0.7347 Intermediate Similarity NPC253144
0.734 Intermediate Similarity NPC54468
0.734 Intermediate Similarity NPC473629
0.734 Intermediate Similarity NPC1761
0.734 Intermediate Similarity NPC52609
0.7339 Intermediate Similarity NPC471933
0.7333 Intermediate Similarity NPC309190
0.7333 Intermediate Similarity NPC13385
0.7327 Intermediate Similarity NPC476275
0.7327 Intermediate Similarity NPC213078
0.732 Intermediate Similarity NPC475906
0.732 Intermediate Similarity NPC469628
0.732 Intermediate Similarity NPC471047
0.732 Intermediate Similarity NPC469631
0.732 Intermediate Similarity NPC469653
0.7315 Intermediate Similarity NPC477103
0.7312 Intermediate Similarity NPC141810
0.7308 Intermediate Similarity NPC87351
0.73 Intermediate Similarity NPC90453
0.73 Intermediate Similarity NPC148463
0.7297 Intermediate Similarity NPC298278
0.7297 Intermediate Similarity NPC148458
0.7292 Intermediate Similarity NPC472863
0.7292 Intermediate Similarity NPC238593
0.7292 Intermediate Similarity NPC195640
0.7292 Intermediate Similarity NPC107787
0.729 Intermediate Similarity NPC117604
0.7288 Intermediate Similarity NPC477363
0.7283 Intermediate Similarity NPC617
0.7283 Intermediate Similarity NPC178277
0.7282 Intermediate Similarity NPC476274
0.7282 Intermediate Similarity NPC474720
0.7273 Intermediate Similarity NPC191339
0.7273 Intermediate Similarity NPC284185
0.7273 Intermediate Similarity NPC218301
0.7273 Intermediate Similarity NPC286341
0.7273 Intermediate Similarity NPC219874
0.7265 Intermediate Similarity NPC477362
0.7264 Intermediate Similarity NPC314244
0.7264 Intermediate Similarity NPC475571
0.7264 Intermediate Similarity NPC196528
0.7264 Intermediate Similarity NPC474101
0.7264 Intermediate Similarity NPC265127
0.7263 Intermediate Similarity NPC115786
0.7263 Intermediate Similarity NPC90446
0.7255 Intermediate Similarity NPC161493
0.7255 Intermediate Similarity NPC226986
0.7255 Intermediate Similarity NPC23680
0.7255 Intermediate Similarity NPC216904
0.7255 Intermediate Similarity NPC470834
0.7253 Intermediate Similarity NPC186109
0.7248 Intermediate Similarity NPC158523
0.7248 Intermediate Similarity NPC474871
0.7248 Intermediate Similarity NPC475937
0.7248 Intermediate Similarity NPC96739
0.7248 Intermediate Similarity NPC174471
0.7248 Intermediate Similarity NPC260786
0.7245 Intermediate Similarity NPC283409
0.7245 Intermediate Similarity NPC472872
0.7245 Intermediate Similarity NPC97032
0.7245 Intermediate Similarity NPC166919
0.7241 Intermediate Similarity NPC22301
0.7238 Intermediate Similarity NPC111323
0.7238 Intermediate Similarity NPC472755
0.7238 Intermediate Similarity NPC311612
0.7238 Intermediate Similarity NPC236390
0.7234 Intermediate Similarity NPC35556
0.7232 Intermediate Similarity NPC471854
0.7232 Intermediate Similarity NPC239273
0.7228 Intermediate Similarity NPC474947
0.7228 Intermediate Similarity NPC67584
0.7228 Intermediate Similarity NPC469599
0.7228 Intermediate Similarity NPC33473
0.7222 Intermediate Similarity NPC477102
0.7222 Intermediate Similarity NPC474901
0.7222 Intermediate Similarity NPC475941
0.7216 Intermediate Similarity NPC24728
0.7212 Intermediate Similarity NPC237190
0.7212 Intermediate Similarity NPC224720
0.7212 Intermediate Similarity NPC476240
0.7212 Intermediate Similarity NPC473384

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477361 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
0.7802 Intermediate Similarity NPD6435 Approved
0.7788 Intermediate Similarity NPD6899 Approved
0.7788 Intermediate Similarity NPD6881 Approved
0.7767 Intermediate Similarity NPD5739 Approved
0.7767 Intermediate Similarity NPD6675 Approved
0.7767 Intermediate Similarity NPD7128 Approved
0.7767 Intermediate Similarity NPD6402 Approved
0.7736 Intermediate Similarity NPD6649 Approved
0.7736 Intermediate Similarity NPD6650 Approved
0.7714 Intermediate Similarity NPD6372 Approved
0.7714 Intermediate Similarity NPD6373 Approved
0.7692 Intermediate Similarity NPD5697 Approved
0.7642 Intermediate Similarity NPD7102 Approved
0.7642 Intermediate Similarity NPD6883 Approved
0.7642 Intermediate Similarity NPD7290 Approved
0.7619 Intermediate Similarity NPD7320 Approved
0.7604 Intermediate Similarity NPD6673 Approved
0.7604 Intermediate Similarity NPD6080 Approved
0.7604 Intermediate Similarity NPD6904 Approved
0.76 Intermediate Similarity NPD6083 Phase 2
0.76 Intermediate Similarity NPD6084 Phase 2
0.7582 Intermediate Similarity NPD5368 Approved
0.7576 Intermediate Similarity NPD5695 Phase 3
0.757 Intermediate Similarity NPD6847 Approved
0.757 Intermediate Similarity NPD6869 Approved
0.757 Intermediate Similarity NPD6617 Approved
0.757 Intermediate Similarity NPD8130 Phase 1
0.7547 Intermediate Similarity NPD6012 Approved
0.7547 Intermediate Similarity NPD6013 Approved
0.7547 Intermediate Similarity NPD6014 Approved
0.7525 Intermediate Similarity NPD5696 Approved
0.7524 Intermediate Similarity NPD5701 Approved
0.75 Intermediate Similarity NPD6882 Approved
0.75 Intermediate Similarity NPD5737 Approved
0.75 Intermediate Similarity NPD6672 Approved
0.75 Intermediate Similarity NPD8297 Approved
0.7453 Intermediate Similarity NPD6011 Approved
0.7449 Intermediate Similarity NPD6050 Approved
0.7429 Intermediate Similarity NPD6008 Approved
0.74 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD5785 Approved
0.7347 Intermediate Similarity NPD5692 Phase 3
0.7312 Intermediate Similarity NPD5369 Approved
0.7292 Intermediate Similarity NPD6098 Approved
0.7292 Intermediate Similarity NPD7146 Approved
0.7292 Intermediate Similarity NPD6409 Approved
0.7292 Intermediate Similarity NPD6684 Approved
0.7292 Intermediate Similarity NPD5330 Approved
0.7292 Intermediate Similarity NPD7521 Approved
0.7292 Intermediate Similarity NPD7334 Approved
0.7273 Intermediate Similarity NPD5693 Phase 1
0.7273 Intermediate Similarity NPD5694 Approved
0.7248 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD5363 Approved
0.7156 Intermediate Similarity NPD6371 Approved
0.7143 Intermediate Similarity NPD6903 Approved
0.7143 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6274 Approved
0.7115 Intermediate Similarity NPD5286 Approved
0.7115 Intermediate Similarity NPD5285 Approved
0.7115 Intermediate Similarity NPD4696 Approved
0.7113 Intermediate Similarity NPD5786 Approved
0.7105 Intermediate Similarity NPD7101 Approved
0.7105 Intermediate Similarity NPD7100 Approved
0.7087 Intermediate Similarity NPD4755 Approved
0.7087 Intermediate Similarity NPD5959 Approved
0.7071 Intermediate Similarity NPD1695 Approved
0.7059 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD6399 Phase 3
0.7021 Intermediate Similarity NPD4820 Approved
0.7021 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4822 Approved
0.7021 Intermediate Similarity NPD4821 Approved
0.7021 Intermediate Similarity NPD4819 Approved
0.7018 Intermediate Similarity NPD6335 Approved
0.7009 Intermediate Similarity NPD7604 Phase 2
0.6981 Remote Similarity NPD5224 Approved
0.6981 Remote Similarity NPD5225 Approved
0.6981 Remote Similarity NPD5211 Phase 2
0.6981 Remote Similarity NPD4633 Approved
0.6981 Remote Similarity NPD5226 Approved
0.6979 Remote Similarity NPD5362 Discontinued
0.6961 Remote Similarity NPD6001 Approved
0.6952 Remote Similarity NPD4700 Approved
0.693 Remote Similarity NPD6317 Approved
0.6916 Remote Similarity NPD5174 Approved
0.6916 Remote Similarity NPD5175 Approved
0.69 Remote Similarity NPD4753 Phase 2
0.6897 Remote Similarity NPD6319 Approved
0.6893 Remote Similarity NPD5654 Approved
0.6893 Remote Similarity NPD4629 Approved
0.6893 Remote Similarity NPD5210 Approved
0.6887 Remote Similarity NPD5223 Approved
0.6881 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6881 Remote Similarity NPD6614 Approved
0.6875 Remote Similarity NPD4269 Approved
0.6875 Remote Similarity NPD4270 Approved
0.6875 Remote Similarity NPD5209 Approved
0.687 Remote Similarity NPD6313 Approved
0.687 Remote Similarity NPD6314 Approved
0.6852 Remote Similarity NPD5141 Approved
0.6838 Remote Similarity NPD6908 Approved
0.6838 Remote Similarity NPD6909 Approved
0.6837 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5207 Approved
0.6814 Remote Similarity NPD4632 Approved
0.6809 Remote Similarity NPD4268 Approved
0.6809 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4271 Approved
0.6807 Remote Similarity NPD7492 Approved
0.6804 Remote Similarity NPD7154 Phase 3
0.68 Remote Similarity NPD5208 Approved
0.6796 Remote Similarity NPD5282 Discontinued
0.6783 Remote Similarity NPD6009 Approved
0.6765 Remote Similarity NPD5281 Approved
0.6765 Remote Similarity NPD5284 Approved
0.6752 Remote Similarity NPD6054 Approved
0.675 Remote Similarity NPD6616 Approved
0.6726 Remote Similarity NPD6053 Discontinued
0.6695 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6695 Remote Similarity NPD5983 Phase 2
0.6694 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD5329 Approved
0.6667 Remote Similarity NPD4252 Approved
0.6667 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD4730 Approved
0.6667 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4729 Approved
0.6639 Remote Similarity NPD6370 Approved
0.6639 Remote Similarity NPD7736 Approved
0.6636 Remote Similarity NPD4768 Approved
0.6636 Remote Similarity NPD4767 Approved
0.6612 Remote Similarity NPD6336 Discontinued
0.661 Remote Similarity NPD6059 Approved
0.6606 Remote Similarity NPD4754 Approved
0.66 Remote Similarity NPD5690 Phase 2
0.6566 Remote Similarity NPD4197 Approved
0.6557 Remote Similarity NPD8293 Discontinued
0.6555 Remote Similarity NPD6016 Approved
0.6555 Remote Similarity NPD6015 Approved
0.6552 Remote Similarity NPD6868 Approved
0.6549 Remote Similarity NPD4634 Approved
0.6549 Remote Similarity NPD5251 Approved
0.6549 Remote Similarity NPD5249 Phase 3
0.6549 Remote Similarity NPD5248 Approved
0.6549 Remote Similarity NPD5250 Approved
0.6549 Remote Similarity NPD5247 Approved
0.6535 Remote Similarity NPD4250 Approved
0.6535 Remote Similarity NPD4251 Approved
0.6531 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6509 Remote Similarity NPD5222 Approved
0.6509 Remote Similarity NPD5221 Approved
0.6509 Remote Similarity NPD4697 Phase 3
0.65 Remote Similarity NPD1694 Approved
0.65 Remote Similarity NPD5988 Approved
0.6496 Remote Similarity NPD7115 Discovery
0.6491 Remote Similarity NPD5217 Approved
0.6491 Remote Similarity NPD5215 Approved
0.6491 Remote Similarity NPD5216 Approved
0.6476 Remote Similarity NPD7900 Approved
0.6476 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5331 Approved
0.6465 Remote Similarity NPD5332 Approved
0.6455 Remote Similarity NPD6052 Approved
0.6449 Remote Similarity NPD5173 Approved
0.6442 Remote Similarity NPD6411 Approved
0.6442 Remote Similarity NPD6079 Approved
0.6436 Remote Similarity NPD4694 Approved
0.6436 Remote Similarity NPD4249 Approved
0.6436 Remote Similarity NPD5279 Phase 3
0.6436 Remote Similarity NPD5280 Approved
0.6429 Remote Similarity NPD4790 Discontinued
0.6408 Remote Similarity NPD5328 Approved
0.6404 Remote Similarity NPD5169 Approved
0.6404 Remote Similarity NPD5135 Approved
0.6404 Remote Similarity NPD5134 Clinical (unspecified phase)
0.64 Remote Similarity NPD3666 Approved
0.64 Remote Similarity NPD3665 Phase 1
0.64 Remote Similarity NPD3133 Approved
0.6381 Remote Similarity NPD4202 Approved
0.6373 Remote Similarity NPD3573 Approved
0.6364 Remote Similarity NPD4223 Phase 3
0.6364 Remote Similarity NPD4221 Approved
0.6348 Remote Similarity NPD5127 Approved
0.6346 Remote Similarity NPD46 Approved
0.6346 Remote Similarity NPD6698 Approved
0.6296 Remote Similarity NPD7902 Approved
0.6283 Remote Similarity NPD6412 Phase 2
0.625 Remote Similarity NPD6101 Approved
0.625 Remote Similarity NPD5764 Clinical (unspecified phase)
0.625 Remote Similarity NPD6051 Approved
0.6238 Remote Similarity NPD4786 Approved
0.6226 Remote Similarity NPD5133 Approved
0.6186 Remote Similarity NPD5167 Approved
0.6168 Remote Similarity NPD7748 Approved
0.6162 Remote Similarity NPD4695 Discontinued
0.6154 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6154 Remote Similarity NPD7331 Phase 2
0.6154 Remote Similarity NPD4518 Approved

Structure

External Identifiers

PubChem CID   56662977
ChEMBL   CHEMBL1801692
ZINC  

Physicochemical Properties

Molecular Weight:  402.24
ALogP:  2.0236
MLogP:  3.55
XLogP:  4.788
# Rotatable Bonds:  11
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  29

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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