Natural Product: NPC477354

Natural Product ID:  NPC477354
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H34O6
Standard InCHIKey:  JWKHZEAVVLNPDQ-QADVYASGSA-N
Standard InCHI:  InChI=1S/C24H34O6/c1-12-10-17-16(22(17,5)6)8-9-23(7)21(30-23)18-19(28-14(3)25)13(2)11-24(18,20(12)27)29-15(4)26/h10,13,16-19,21H,8-9,11H2,1-7H3/b12-10+/t13-,16-,17-,18+,19-,21+,23+,24+/m0/s1
Canonical SMILES:  CC(=O)O[C@@]12C[C@@H]([C@@H]([C@@H]2[C@H]2O[C@]2(C)CC[C@H]2[C@H](/C=C(/C1=O)C)C2(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 NPC477354 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
0.9663 High Similarity NPC202824
0.9663 High Similarity NPC477361
0.957 High Similarity NPC477356
0.9565 High Similarity NPC477355
0.9247 High Similarity NPC87090
0.9062 High Similarity NPC118405
0.8725 High Similarity NPC475495
0.8641 High Similarity NPC473522
0.8641 High Similarity NPC477093
0.8641 High Similarity NPC475277
0.8421 Intermediate Similarity NPC125180
0.8333 Intermediate Similarity NPC470192
0.8318 Intermediate Similarity NPC475305
0.83 Intermediate Similarity NPC271266
0.83 Intermediate Similarity NPC308351
0.8242 Intermediate Similarity NPC108045
0.8242 Intermediate Similarity NPC475622
0.8241 Intermediate Similarity NPC475401
0.8182 Intermediate Similarity NPC470188
0.8165 Intermediate Similarity NPC477092
0.8125 Intermediate Similarity NPC221282
0.8119 Intermediate Similarity NPC78127
0.8119 Intermediate Similarity NPC105725
0.8119 Intermediate Similarity NPC471757
0.8085 Intermediate Similarity NPC471739
0.8077 Intermediate Similarity NPC470269
0.8058 Intermediate Similarity NPC470267
0.8022 Intermediate Similarity NPC286229
0.7961 Intermediate Similarity NPC235889
0.7957 Intermediate Similarity NPC475796
0.7941 Intermediate Similarity NPC49393
0.7885 Intermediate Similarity NPC181265
0.7879 Intermediate Similarity NPC470978
0.7879 Intermediate Similarity NPC470974
0.7865 Intermediate Similarity NPC226242
0.7857 Intermediate Similarity NPC109414
0.785 Intermediate Similarity NPC231589
0.785 Intermediate Similarity NPC118860
0.785 Intermediate Similarity NPC214797
0.7843 Intermediate Similarity NPC471767
0.783 Intermediate Similarity NPC241927
0.783 Intermediate Similarity NPC258543
0.7812 Intermediate Similarity NPC475902
0.7802 Intermediate Similarity NPC276647
0.7802 Intermediate Similarity NPC622
0.7802 Intermediate Similarity NPC471740
0.7789 Intermediate Similarity NPC469676
0.7778 Intermediate Similarity NPC170487
0.7767 Intermediate Similarity NPC250594
0.7748 Intermediate Similarity NPC118638
0.7714 Intermediate Similarity NPC291643
0.7692 Intermediate Similarity NPC474056
0.767 Intermediate Similarity NPC477950
0.7664 Intermediate Similarity NPC471934
0.7653 Intermediate Similarity NPC469718
0.7653 Intermediate Similarity NPC329857
0.7647 Intermediate Similarity NPC222011
0.7642 Intermediate Similarity NPC44063
0.764 Intermediate Similarity NPC167049
0.764 Intermediate Similarity NPC469691
0.7619 Intermediate Similarity NPC169843
0.7615 Intermediate Similarity NPC71348
0.7609 Intermediate Similarity NPC469620
0.7609 Intermediate Similarity NPC469690
0.7604 Intermediate Similarity NPC474045
0.7604 Intermediate Similarity NPC261253
0.7576 Intermediate Similarity NPC20713
0.7568 Intermediate Similarity NPC270958
0.7556 Intermediate Similarity NPC469678
0.7556 Intermediate Similarity NPC469669
0.7556 Intermediate Similarity NPC475771
0.7551 Intermediate Similarity NPC305039
0.7551 Intermediate Similarity NPC474679
0.7549 Intermediate Similarity NPC69385
0.7545 Intermediate Similarity NPC202889
0.7528 Intermediate Similarity NPC107783
0.7528 Intermediate Similarity NPC92909
0.7527 Intermediate Similarity NPC304795
0.7526 Intermediate Similarity NPC197333
0.7525 Intermediate Similarity NPC474490
0.7523 Intermediate Similarity NPC43775
0.75 Intermediate Similarity NPC96621
0.75 Intermediate Similarity NPC2766
0.75 Intermediate Similarity NPC304495
0.7476 Intermediate Similarity NPC176845
0.7476 Intermediate Similarity NPC54843
0.7474 Intermediate Similarity NPC473629
0.7474 Intermediate Similarity NPC474703
0.7455 Intermediate Similarity NPC471933
0.7455 Intermediate Similarity NPC475524
0.7455 Intermediate Similarity NPC100267
0.7455 Intermediate Similarity NPC221144
0.7453 Intermediate Similarity NPC137657
0.7453 Intermediate Similarity NPC310586
0.7451 Intermediate Similarity NPC121036
0.7451 Intermediate Similarity NPC472674
0.7451 Intermediate Similarity NPC476275
0.7447 Intermediate Similarity NPC255580
0.7447 Intermediate Similarity NPC39411
0.7447 Intermediate Similarity NPC141810
0.7429 Intermediate Similarity NPC15396
0.7426 Intermediate Similarity NPC294266
0.7426 Intermediate Similarity NPC476596
0.7423 Intermediate Similarity NPC104961
0.7423 Intermediate Similarity NPC70555
0.7423 Intermediate Similarity NPC70422
0.7419 Intermediate Similarity NPC469608
0.7419 Intermediate Similarity NPC617
0.7411 Intermediate Similarity NPC298278
0.7407 Intermediate Similarity NPC117604
0.74 Intermediate Similarity NPC70595
0.74 Intermediate Similarity NPC74103
0.74 Intermediate Similarity NPC290651
0.74 Intermediate Similarity NPC150978
0.74 Intermediate Similarity NPC123177
0.7396 Intermediate Similarity NPC90446
0.7391 Intermediate Similarity NPC186109
0.7383 Intermediate Similarity NPC314244
0.7383 Intermediate Similarity NPC474101
0.7374 Intermediate Similarity NPC472872
0.7374 Intermediate Similarity NPC166919
0.7373 Intermediate Similarity NPC8990
0.7358 Intermediate Similarity NPC470839
0.7355 Intermediate Similarity NPC37968
0.7353 Intermediate Similarity NPC163228
0.7353 Intermediate Similarity NPC474947
0.7347 Intermediate Similarity NPC471738
0.7339 Intermediate Similarity NPC475941
0.7339 Intermediate Similarity NPC474901
0.7333 Intermediate Similarity NPC476270
0.7333 Intermediate Similarity NPC264477
0.7333 Intermediate Similarity NPC477357
0.7333 Intermediate Similarity NPC477511
0.7333 Intermediate Similarity NPC237190
0.7327 Intermediate Similarity NPC476597
0.7327 Intermediate Similarity NPC476598
0.732 Intermediate Similarity NPC474547
0.7312 Intermediate Similarity NPC207186
0.7311 Intermediate Similarity NPC477369
0.7308 Intermediate Similarity NPC221615
0.7308 Intermediate Similarity NPC252295
0.73 Intermediate Similarity NPC477711
0.73 Intermediate Similarity NPC62815
0.73 Intermediate Similarity NPC253144
0.73 Intermediate Similarity NPC475748
0.73 Intermediate Similarity NPC471818
0.7295 Intermediate Similarity NPC475671
0.7295 Intermediate Similarity NPC122504
0.7295 Intermediate Similarity NPC3450
0.7295 Intermediate Similarity NPC475452
0.7292 Intermediate Similarity NPC54468
0.7292 Intermediate Similarity NPC272814
0.729 Intermediate Similarity NPC13385
0.729 Intermediate Similarity NPC309190
0.7282 Intermediate Similarity NPC213078
0.7273 Intermediate Similarity NPC475906
0.7273 Intermediate Similarity NPC469628
0.7273 Intermediate Similarity NPC50223
0.7273 Intermediate Similarity NPC41551
0.7273 Intermediate Similarity NPC469631
0.7273 Intermediate Similarity NPC471047
0.7273 Intermediate Similarity NPC224652
0.7273 Intermediate Similarity NPC477103
0.7273 Intermediate Similarity NPC469653
0.7264 Intermediate Similarity NPC87351
0.7263 Intermediate Similarity NPC471325
0.7257 Intermediate Similarity NPC148458
0.7255 Intermediate Similarity NPC90453
0.7255 Intermediate Similarity NPC148463
0.7245 Intermediate Similarity NPC137253
0.7245 Intermediate Similarity NPC107787
0.7245 Intermediate Similarity NPC195640
0.7245 Intermediate Similarity NPC238593
0.7238 Intermediate Similarity NPC474720
0.7238 Intermediate Similarity NPC476274
0.7228 Intermediate Similarity NPC284185
0.7228 Intermediate Similarity NPC219874
0.7228 Intermediate Similarity NPC286341
0.7228 Intermediate Similarity NPC218301
0.7228 Intermediate Similarity NPC191339
0.7222 Intermediate Similarity NPC475571
0.7222 Intermediate Similarity NPC196528
0.7222 Intermediate Similarity NPC54737
0.7222 Intermediate Similarity NPC265127
0.7216 Intermediate Similarity NPC115786
0.7216 Intermediate Similarity NPC120726
0.7216 Intermediate Similarity NPC32565
0.7212 Intermediate Similarity NPC161493
0.7212 Intermediate Similarity NPC226986
0.7212 Intermediate Similarity NPC23680
0.7212 Intermediate Similarity NPC216904
0.7212 Intermediate Similarity NPC470834
0.7207 Intermediate Similarity NPC474871
0.7207 Intermediate Similarity NPC158523
0.7207 Intermediate Similarity NPC470960
0.7207 Intermediate Similarity NPC96739
0.7207 Intermediate Similarity NPC475937
0.7207 Intermediate Similarity NPC174471
0.7207 Intermediate Similarity NPC260786
0.7204 Intermediate Similarity NPC276769

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477354 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
0.7736 Intermediate Similarity NPD6881 Approved
0.7736 Intermediate Similarity NPD6899 Approved
0.7714 Intermediate Similarity NPD5739 Approved
0.7714 Intermediate Similarity NPD7128 Approved
0.7714 Intermediate Similarity NPD6675 Approved
0.7714 Intermediate Similarity NPD6402 Approved
0.7685 Intermediate Similarity NPD6649 Approved
0.7685 Intermediate Similarity NPD6650 Approved
0.7664 Intermediate Similarity NPD6373 Approved
0.7664 Intermediate Similarity NPD6372 Approved
0.7642 Intermediate Similarity NPD5697 Approved
0.7593 Intermediate Similarity NPD6883 Approved
0.7593 Intermediate Similarity NPD7290 Approved
0.7593 Intermediate Similarity NPD7102 Approved
0.757 Intermediate Similarity NPD7320 Approved
0.7553 Intermediate Similarity NPD6435 Approved
0.7551 Intermediate Similarity NPD6904 Approved
0.7551 Intermediate Similarity NPD6673 Approved
0.7551 Intermediate Similarity NPD6080 Approved
0.7549 Intermediate Similarity NPD6083 Phase 2
0.7549 Intermediate Similarity NPD6084 Phase 2
0.7547 Intermediate Similarity NPD6008 Approved
0.7525 Intermediate Similarity NPD5695 Phase 3
0.7523 Intermediate Similarity NPD6869 Approved
0.7523 Intermediate Similarity NPD8130 Phase 1
0.7523 Intermediate Similarity NPD6617 Approved
0.7523 Intermediate Similarity NPD6847 Approved
0.75 Intermediate Similarity NPD6014 Approved
0.75 Intermediate Similarity NPD6013 Approved
0.75 Intermediate Similarity NPD6012 Approved
0.7477 Intermediate Similarity NPD5701 Approved
0.7476 Intermediate Similarity NPD5696 Approved
0.7455 Intermediate Similarity NPD8297 Approved
0.7455 Intermediate Similarity NPD6882 Approved
0.7449 Intermediate Similarity NPD5737 Approved
0.7449 Intermediate Similarity NPD6672 Approved
0.7407 Intermediate Similarity NPD6011 Approved
0.74 Intermediate Similarity NPD6050 Approved
0.7353 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.734 Intermediate Similarity NPD5368 Approved
0.73 Intermediate Similarity NPD5692 Phase 3
0.7245 Intermediate Similarity NPD6098 Approved
0.7245 Intermediate Similarity NPD5330 Approved
0.7245 Intermediate Similarity NPD7521 Approved
0.7245 Intermediate Similarity NPD7334 Approved
0.7245 Intermediate Similarity NPD6684 Approved
0.7245 Intermediate Similarity NPD7146 Approved
0.7245 Intermediate Similarity NPD6409 Approved
0.7228 Intermediate Similarity NPD5694 Approved
0.7228 Intermediate Similarity NPD5693 Phase 1
0.7207 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD1695 Approved
0.7129 Intermediate Similarity NPD5785 Approved
0.7117 Intermediate Similarity NPD6371 Approved
0.7105 Intermediate Similarity NPD6274 Approved
0.71 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.71 Intermediate Similarity NPD6903 Approved
0.7087 Intermediate Similarity NPD6001 Approved
0.7083 Intermediate Similarity NPD5369 Approved
0.7075 Intermediate Similarity NPD5286 Approved
0.7075 Intermediate Similarity NPD4696 Approved
0.7075 Intermediate Similarity NPD5285 Approved
0.7069 Intermediate Similarity NPD7101 Approved
0.7069 Intermediate Similarity NPD7100 Approved
0.7048 Intermediate Similarity NPD4755 Approved
0.7048 Intermediate Similarity NPD5959 Approved
0.7019 Intermediate Similarity NPD1698 Clinical (unspecified phase)
0.699 Remote Similarity NPD6399 Phase 3
0.6983 Remote Similarity NPD6335 Approved
0.6975 Remote Similarity NPD7604 Phase 2
0.697 Remote Similarity NPD5363 Approved
0.6944 Remote Similarity NPD5225 Approved
0.6944 Remote Similarity NPD5224 Approved
0.6944 Remote Similarity NPD5226 Approved
0.6944 Remote Similarity NPD5211 Phase 2
0.6944 Remote Similarity NPD4633 Approved
0.6916 Remote Similarity NPD4700 Approved
0.69 Remote Similarity NPD5786 Approved
0.6897 Remote Similarity NPD6317 Approved
0.6881 Remote Similarity NPD5174 Approved
0.6881 Remote Similarity NPD5175 Approved
0.6864 Remote Similarity NPD6319 Approved
0.6863 Remote Similarity NPD4753 Phase 2
0.6857 Remote Similarity NPD5654 Approved
0.6857 Remote Similarity NPD5210 Approved
0.6857 Remote Similarity NPD4629 Approved
0.6852 Remote Similarity NPD5223 Approved
0.6847 Remote Similarity NPD6614 Approved
0.6847 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6838 Remote Similarity NPD6313 Approved
0.6838 Remote Similarity NPD6314 Approved
0.6818 Remote Similarity NPD5141 Approved
0.6807 Remote Similarity NPD6908 Approved
0.6807 Remote Similarity NPD6909 Approved
0.6804 Remote Similarity NPD4819 Approved
0.6804 Remote Similarity NPD4822 Approved
0.6804 Remote Similarity NPD4820 Approved
0.6804 Remote Similarity NPD4821 Approved
0.6804 Remote Similarity NPD5790 Clinical (unspecified phase)
0.68 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6796 Remote Similarity NPD5207 Approved
0.6783 Remote Similarity NPD4632 Approved
0.6777 Remote Similarity NPD7492 Approved
0.6768 Remote Similarity NPD5362 Discontinued
0.6765 Remote Similarity NPD5208 Approved
0.6762 Remote Similarity NPD5282 Discontinued
0.6752 Remote Similarity NPD6009 Approved
0.6731 Remote Similarity NPD5281 Approved
0.6731 Remote Similarity NPD5284 Approved
0.6723 Remote Similarity NPD6054 Approved
0.6721 Remote Similarity NPD6616 Approved
0.6696 Remote Similarity NPD6053 Discontinued
0.6667 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5209 Approved
0.6667 Remote Similarity NPD7078 Approved
0.6667 Remote Similarity NPD4270 Approved
0.6667 Remote Similarity NPD5983 Phase 2
0.6667 Remote Similarity NPD4269 Approved
0.6637 Remote Similarity NPD4729 Approved
0.6637 Remote Similarity NPD5128 Approved
0.6637 Remote Similarity NPD4730 Approved
0.6634 Remote Similarity NPD5329 Approved
0.6613 Remote Similarity NPD7736 Approved
0.6612 Remote Similarity NPD6370 Approved
0.661 Remote Similarity NPD7115 Discovery
0.6607 Remote Similarity NPD4768 Approved
0.6607 Remote Similarity NPD4767 Approved
0.66 Remote Similarity NPD7154 Phase 3
0.6598 Remote Similarity NPD4268 Approved
0.6598 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6598 Remote Similarity NPD4271 Approved
0.6585 Remote Similarity NPD6336 Discontinued
0.6583 Remote Similarity NPD6059 Approved
0.6577 Remote Similarity NPD4754 Approved
0.6569 Remote Similarity NPD5690 Phase 2
0.6535 Remote Similarity NPD4197 Approved
0.6532 Remote Similarity NPD8293 Discontinued
0.6529 Remote Similarity NPD6015 Approved
0.6529 Remote Similarity NPD6016 Approved
0.6525 Remote Similarity NPD6868 Approved
0.6522 Remote Similarity NPD5247 Approved
0.6522 Remote Similarity NPD5250 Approved
0.6522 Remote Similarity NPD5249 Phase 3
0.6522 Remote Similarity NPD5251 Approved
0.6522 Remote Similarity NPD5248 Approved
0.6522 Remote Similarity NPD4634 Approved
0.65 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5222 Approved
0.6481 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6481 Remote Similarity NPD5221 Approved
0.6481 Remote Similarity NPD4697 Phase 3
0.6475 Remote Similarity NPD5988 Approved
0.6471 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6471 Remote Similarity NPD1694 Approved
0.6466 Remote Similarity NPD5217 Approved
0.6466 Remote Similarity NPD5215 Approved
0.6466 Remote Similarity NPD5216 Approved
0.6465 Remote Similarity NPD4252 Approved
0.6449 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6449 Remote Similarity NPD7900 Approved
0.6429 Remote Similarity NPD6052 Approved
0.6422 Remote Similarity NPD5173 Approved
0.6415 Remote Similarity NPD6079 Approved
0.6415 Remote Similarity NPD6411 Approved
0.6408 Remote Similarity NPD5279 Phase 3
0.6408 Remote Similarity NPD5280 Approved
0.6408 Remote Similarity NPD4694 Approved
0.6381 Remote Similarity NPD5328 Approved
0.6379 Remote Similarity NPD5169 Approved
0.6379 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6379 Remote Similarity NPD5135 Approved
0.6373 Remote Similarity NPD3133 Approved
0.6373 Remote Similarity NPD3666 Approved
0.6373 Remote Similarity NPD3665 Phase 1
0.6355 Remote Similarity NPD4202 Approved
0.6346 Remote Similarity NPD3573 Approved
0.6346 Remote Similarity NPD4251 Approved
0.6346 Remote Similarity NPD4250 Approved
0.6337 Remote Similarity NPD4221 Approved
0.6337 Remote Similarity NPD4223 Phase 3
0.6325 Remote Similarity NPD5127 Approved
0.6321 Remote Similarity NPD46 Approved
0.6321 Remote Similarity NPD6698 Approved
0.6275 Remote Similarity NPD5331 Approved
0.6275 Remote Similarity NPD5332 Approved
0.6273 Remote Similarity NPD7902 Approved
0.6261 Remote Similarity NPD6412 Phase 2
0.625 Remote Similarity NPD4249 Approved
0.6238 Remote Similarity NPD4790 Discontinued
0.6226 Remote Similarity NPD6051 Approved
0.6226 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6226 Remote Similarity NPD6101 Approved
0.6214 Remote Similarity NPD4786 Approved
0.6204 Remote Similarity NPD5133 Approved
0.6167 Remote Similarity NPD5167 Approved
0.6147 Remote Similarity NPD7748 Approved
0.6139 Remote Similarity NPD4695 Discontinued
0.6132 Remote Similarity NPD4518 Approved
0.6117 Remote Similarity NPD4788 Approved
0.6111 Remote Similarity NPD8034 Phase 2

Structure

External Identifiers

PubChem CID   56662973
ChEMBL   CHEMBL1801685
ZINC  

Physicochemical Properties

Molecular Weight:  418.24
ALogP:  1.2527
MLogP:  3.44
XLogP:  3.988
# Rotatable Bonds:  11
Polar Surface Area:  82.2
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  30

Download Data

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