Natural Product: NPC328052

Natural Product ID:  NPC328052
Common Name:   Dysolenticin J
IUPAC Name:   3-[(3R,5R,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyrrole-2,5-dione
Synonyms:   Dysolenticin J
Molecular Formula:   C26H37NO3
Standard InCHIKey:  HBDJSKMXFZVHGN-NWGDQWASSA-N
Standard InCHI:  InChI=1S/C26H37NO3/c1-23(2)19-7-6-18-17(24(19,3)11-10-20(23)28)9-13-25(4)16(8-12-26(18,25)5)15-14-21(29)27-22(15)30/h6,14,16-17,19-20,28H,7-13H2,1-5H3,(H,27,29,30)/t16-,17-,19-,20+,24+,25-,26+/m0/s1
Canonical SMILES:  OC1=NC(=O)C(=C1)[C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1C2=CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)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
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota twigs and leaves Yunnan Province, China 2008-OCT PMID[21954912]
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota Leaves PMID[21954912]
NPO11885 Dysoxylum lenticellatum Species Meliaceae Eukaryota Twigs PMID[21954912]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT177 Tissue Aorta Rattus norvegicus Activity = 87.4 % 21954912

  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 NPC328052 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
0.8627 High Similarity NPC247220
0.8039 Intermediate Similarity NPC473999
0.8039 Intermediate Similarity NPC309603
0.7961 Intermediate Similarity NPC48010
0.7885 Intermediate Similarity NPC475806
0.7885 Intermediate Similarity NPC473998
0.783 Intermediate Similarity NPC271195
0.781 Intermediate Similarity NPC69454
0.7788 Intermediate Similarity NPC126993
0.7778 Intermediate Similarity NPC103051
0.7768 Intermediate Similarity NPC169375
0.7736 Intermediate Similarity NPC8993
0.7714 Intermediate Similarity NPC233116
0.7714 Intermediate Similarity NPC63748
0.7714 Intermediate Similarity NPC272746
0.7706 Intermediate Similarity NPC201406
0.7692 Intermediate Similarity NPC472240
0.7692 Intermediate Similarity NPC262858
0.767 Intermediate Similarity NPC475740
0.7664 Intermediate Similarity NPC259286
0.7647 Intermediate Similarity NPC470574
0.7647 Intermediate Similarity NPC471224
0.7642 Intermediate Similarity NPC474736
0.7642 Intermediate Similarity NPC109305
0.7619 Intermediate Similarity NPC191684
0.7619 Intermediate Similarity NPC85173
0.7596 Intermediate Similarity NPC471722
0.7596 Intermediate Similarity NPC328539
0.7593 Intermediate Similarity NPC249954
0.7581 Intermediate Similarity NPC471586
0.7573 Intermediate Similarity NPC474778
0.7573 Intermediate Similarity NPC474732
0.7573 Intermediate Similarity NPC145879
0.7573 Intermediate Similarity NPC72133
0.7573 Intermediate Similarity NPC474733
0.7573 Intermediate Similarity NPC31564
0.757 Intermediate Similarity NPC299100
0.7549 Intermediate Similarity NPC214043
0.7549 Intermediate Similarity NPC85774
0.7545 Intermediate Similarity NPC154072
0.7524 Intermediate Similarity NPC146554
0.7524 Intermediate Similarity NPC1015
0.7524 Intermediate Similarity NPC275740
0.7524 Intermediate Similarity NPC472973
0.7524 Intermediate Similarity NPC119416
0.7524 Intermediate Similarity NPC31985
0.7524 Intermediate Similarity NPC86319
0.7523 Intermediate Similarity NPC253826
0.75 Intermediate Similarity NPC112009
0.75 Intermediate Similarity NPC58063
0.75 Intermediate Similarity NPC474583
0.75 Intermediate Similarity NPC474684
0.75 Intermediate Similarity NPC180950
0.75 Intermediate Similarity NPC474563
0.75 Intermediate Similarity NPC142361
0.7477 Intermediate Similarity NPC472930
0.7477 Intermediate Similarity NPC475255
0.7477 Intermediate Similarity NPC77703
0.7476 Intermediate Similarity NPC474083
0.7434 Intermediate Similarity NPC119329
0.7431 Intermediate Similarity NPC456
0.7431 Intermediate Similarity NPC117133
0.7431 Intermediate Similarity NPC301534
0.7431 Intermediate Similarity NPC250757
0.7431 Intermediate Similarity NPC472941
0.7429 Intermediate Similarity NPC143767
0.7429 Intermediate Similarity NPC471724
0.7429 Intermediate Similarity NPC131470
0.7417 Intermediate Similarity NPC470276
0.7414 Intermediate Similarity NPC476290
0.7411 Intermediate Similarity NPC469598
0.7411 Intermediate Similarity NPC473424
0.7411 Intermediate Similarity NPC50815
0.7411 Intermediate Similarity NPC293753
0.7411 Intermediate Similarity NPC477915
0.7407 Intermediate Similarity NPC111015
0.7407 Intermediate Similarity NPC245972
0.7407 Intermediate Similarity NPC469406
0.7407 Intermediate Similarity NPC474690
0.7407 Intermediate Similarity NPC292793
0.7407 Intermediate Similarity NPC196485
0.7404 Intermediate Similarity NPC469994
0.7404 Intermediate Similarity NPC472986
0.7404 Intermediate Similarity NPC472985
0.7404 Intermediate Similarity NPC94755
0.7383 Intermediate Similarity NPC74296
0.7383 Intermediate Similarity NPC472978
0.7383 Intermediate Similarity NPC212948
0.7383 Intermediate Similarity NPC168027
0.7383 Intermediate Similarity NPC185936
0.7383 Intermediate Similarity NPC110923
0.7379 Intermediate Similarity NPC221758
0.7379 Intermediate Similarity NPC473246
0.7379 Intermediate Similarity NPC472265
0.7379 Intermediate Similarity NPC59453
0.7364 Intermediate Similarity NPC108078
0.7364 Intermediate Similarity NPC320306
0.7358 Intermediate Similarity NPC186688
0.7358 Intermediate Similarity NPC268406
0.7358 Intermediate Similarity NPC474704
0.7358 Intermediate Similarity NPC475921
0.7358 Intermediate Similarity NPC472983
0.7358 Intermediate Similarity NPC472971
0.7358 Intermediate Similarity NPC472970
0.7358 Intermediate Similarity NPC2983
0.7358 Intermediate Similarity NPC26959
0.7345 Intermediate Similarity NPC45365
0.7345 Intermediate Similarity NPC293299
0.7345 Intermediate Similarity NPC249187
0.7345 Intermediate Similarity NPC180204
0.7345 Intermediate Similarity NPC247957
0.7339 Intermediate Similarity NPC476174
0.7333 Intermediate Similarity NPC470275
0.7333 Intermediate Similarity NPC233836
0.7333 Intermediate Similarity NPC141292
0.7333 Intermediate Similarity NPC187376
0.7333 Intermediate Similarity NPC159046
0.7333 Intermediate Similarity NPC93778
0.7315 Intermediate Similarity NPC12722
0.7315 Intermediate Similarity NPC476304
0.7315 Intermediate Similarity NPC38232
0.7315 Intermediate Similarity NPC470224
0.7315 Intermediate Similarity NPC214697
0.7308 Intermediate Similarity NPC469948
0.729 Intermediate Similarity NPC183283
0.729 Intermediate Similarity NPC469400
0.7288 Intermediate Similarity NPC476269
0.7281 Intermediate Similarity NPC204833
0.7281 Intermediate Similarity NPC209502
0.7281 Intermediate Similarity NPC72255
0.7273 Intermediate Similarity NPC471463
0.7264 Intermediate Similarity NPC474677
0.7264 Intermediate Similarity NPC104560
0.7264 Intermediate Similarity NPC292491
0.7264 Intermediate Similarity NPC193360
0.7264 Intermediate Similarity NPC206060
0.7264 Intermediate Similarity NPC310752
0.7257 Intermediate Similarity NPC152718
0.7257 Intermediate Similarity NPC247060
0.7257 Intermediate Similarity NPC136289
0.7257 Intermediate Similarity NPC471083
0.7257 Intermediate Similarity NPC234892
0.7248 Intermediate Similarity NPC119562
0.7248 Intermediate Similarity NPC472976
0.7248 Intermediate Similarity NPC476186
0.7248 Intermediate Similarity NPC472977
0.7248 Intermediate Similarity NPC279410
0.7241 Intermediate Similarity NPC307903
0.7241 Intermediate Similarity NPC140251
0.7238 Intermediate Similarity NPC55309
0.7238 Intermediate Similarity NPC472974
0.7238 Intermediate Similarity NPC475022
0.7238 Intermediate Similarity NPC51014
0.7238 Intermediate Similarity NPC28252
0.7238 Intermediate Similarity NPC118648
0.7238 Intermediate Similarity NPC155011
0.7238 Intermediate Similarity NPC222613
0.7232 Intermediate Similarity NPC476274
0.7232 Intermediate Similarity NPC287833
0.7232 Intermediate Similarity NPC470074
0.7232 Intermediate Similarity NPC327431
0.7228 Intermediate Similarity NPC30986
0.7228 Intermediate Similarity NPC209430
0.7227 Intermediate Similarity NPC106479
0.7222 Intermediate Similarity NPC472975
0.7222 Intermediate Similarity NPC189520
0.7222 Intermediate Similarity NPC131872
0.7217 Intermediate Similarity NPC85829
0.7217 Intermediate Similarity NPC257353
0.7217 Intermediate Similarity NPC319077
0.7217 Intermediate Similarity NPC171137
0.7217 Intermediate Similarity NPC476027
0.7217 Intermediate Similarity NPC49958
0.7217 Intermediate Similarity NPC214264
0.7217 Intermediate Similarity NPC48733
0.7217 Intermediate Similarity NPC152695
0.7217 Intermediate Similarity NPC302607
0.7217 Intermediate Similarity NPC55462
0.7217 Intermediate Similarity NPC97202
0.7217 Intermediate Similarity NPC296945
0.7217 Intermediate Similarity NPC149047
0.7217 Intermediate Similarity NPC50692
0.7217 Intermediate Similarity NPC150531
0.7217 Intermediate Similarity NPC202167
0.7217 Intermediate Similarity NPC260268
0.7212 Intermediate Similarity NPC476412
0.7212 Intermediate Similarity NPC33913
0.7212 Intermediate Similarity NPC321187
0.7212 Intermediate Similarity NPC237712
0.7212 Intermediate Similarity NPC161423
0.7212 Intermediate Similarity NPC227064
0.7212 Intermediate Similarity NPC329043
0.7212 Intermediate Similarity NPC58841
0.7212 Intermediate Similarity NPC82902
0.7212 Intermediate Similarity NPC165064
0.7207 Intermediate Similarity NPC474938
0.7207 Intermediate Similarity NPC474785
0.7207 Intermediate Similarity NPC126815
0.7196 Intermediate Similarity NPC474245
0.7196 Intermediate Similarity NPC77168

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC328052 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
0.7714 Intermediate Similarity NPD6079 Approved
0.7692 Intermediate Similarity NPD5328 Approved
0.7573 Intermediate Similarity NPD3618 Phase 1
0.7545 Intermediate Similarity NPD6404 Discontinued
0.7379 Intermediate Similarity NPD4786 Approved
0.7315 Intermediate Similarity NPD4202 Approved
0.7273 Intermediate Similarity NPD5221 Approved
0.7273 Intermediate Similarity NPD5222 Approved
0.7273 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD5211 Phase 2
0.7212 Intermediate Similarity NPD3665 Phase 1
0.7212 Intermediate Similarity NPD3133 Approved
0.7212 Intermediate Similarity NPD3666 Approved
0.7207 Intermediate Similarity NPD5173 Approved
0.7184 Intermediate Similarity NPD3667 Approved
0.713 Intermediate Similarity NPD5141 Approved
0.7117 Intermediate Similarity NPD4697 Phase 3
0.708 Intermediate Similarity NPD5286 Approved
0.708 Intermediate Similarity NPD4696 Approved
0.708 Intermediate Similarity NPD5285 Approved
0.7054 Intermediate Similarity NPD4755 Approved
0.7018 Intermediate Similarity NPD5223 Approved
0.6957 Remote Similarity NPD5224 Approved
0.6957 Remote Similarity NPD5225 Approved
0.6957 Remote Similarity NPD5226 Approved
0.6957 Remote Similarity NPD4633 Approved
0.694 Remote Similarity NPD6334 Approved
0.694 Remote Similarity NPD6333 Approved
0.693 Remote Similarity NPD4700 Approved
0.693 Remote Similarity NPD7639 Approved
0.693 Remote Similarity NPD7640 Approved
0.6916 Remote Similarity NPD5279 Phase 3
0.6909 Remote Similarity NPD7515 Phase 2
0.6897 Remote Similarity NPD5174 Approved
0.6897 Remote Similarity NPD5175 Approved
0.6881 Remote Similarity NPD4753 Phase 2
0.6857 Remote Similarity NPD4221 Approved
0.6857 Remote Similarity NPD4223 Phase 3
0.6842 Remote Similarity NPD7638 Approved
0.6822 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6822 Remote Similarity NPD5329 Approved
0.6807 Remote Similarity NPD7320 Approved
0.6807 Remote Similarity NPD6881 Approved
0.6807 Remote Similarity NPD6899 Approved
0.6786 Remote Similarity NPD5769 Clinical (unspecified phase)
0.678 Remote Similarity NPD6675 Approved
0.678 Remote Similarity NPD6402 Approved
0.678 Remote Similarity NPD5739 Approved
0.678 Remote Similarity NPD7128 Approved
0.678 Remote Similarity NPD7333 Discontinued
0.6774 Remote Similarity NPD7115 Discovery
0.6759 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6752 Remote Similarity NPD4754 Approved
0.6729 Remote Similarity NPD4197 Approved
0.6726 Remote Similarity NPD5210 Approved
0.6726 Remote Similarity NPD4629 Approved
0.6723 Remote Similarity NPD5697 Approved
0.6696 Remote Similarity NPD6399 Phase 3
0.6694 Remote Similarity NPD6883 Approved
0.6694 Remote Similarity NPD7290 Approved
0.6694 Remote Similarity NPD7102 Approved
0.6694 Remote Similarity NPD6420 Discontinued
0.6667 Remote Similarity NPD5128 Approved
0.6667 Remote Similarity NPD6011 Approved
0.6667 Remote Similarity NPD4730 Approved
0.6667 Remote Similarity NPD7525 Registered
0.6667 Remote Similarity NPD4729 Approved
0.6667 Remote Similarity NPD5168 Approved
0.6667 Remote Similarity NPD6942 Approved
0.6667 Remote Similarity NPD7339 Approved
0.6639 Remote Similarity NPD6617 Approved
0.6639 Remote Similarity NPD4768 Approved
0.6639 Remote Similarity NPD8130 Phase 1
0.6639 Remote Similarity NPD6869 Approved
0.6639 Remote Similarity NPD4767 Approved
0.6639 Remote Similarity NPD6649 Approved
0.6639 Remote Similarity NPD6650 Approved
0.6639 Remote Similarity NPD6847 Approved
0.6637 Remote Similarity NPD7748 Approved
0.6636 Remote Similarity NPD4788 Approved
0.6636 Remote Similarity NPD6903 Approved
0.6612 Remote Similarity NPD6014 Approved
0.6612 Remote Similarity NPD6372 Approved
0.6612 Remote Similarity NPD6013 Approved
0.6612 Remote Similarity NPD6373 Approved
0.6612 Remote Similarity NPD6012 Approved
0.6609 Remote Similarity NPD6084 Phase 2
0.6609 Remote Similarity NPD6083 Phase 2
0.6606 Remote Similarity NPD4693 Phase 3
0.6606 Remote Similarity NPD7334 Approved
0.6606 Remote Similarity NPD4138 Approved
0.6606 Remote Similarity NPD6409 Approved
0.6606 Remote Similarity NPD5690 Phase 2
0.6606 Remote Similarity NPD5330 Approved
0.6606 Remote Similarity NPD4689 Approved
0.6606 Remote Similarity NPD4623 Approved
0.6606 Remote Similarity NPD6684 Approved
0.6606 Remote Similarity NPD5205 Approved
0.6606 Remote Similarity NPD7521 Approved
0.6606 Remote Similarity NPD4688 Approved
0.6606 Remote Similarity NPD7146 Approved
0.6606 Remote Similarity NPD4519 Discontinued
0.6606 Remote Similarity NPD4690 Approved
0.6585 Remote Similarity NPD6882 Approved
0.6585 Remote Similarity NPD8297 Approved
0.6583 Remote Similarity NPD5701 Approved
0.6574 Remote Similarity NPD3668 Phase 3
0.6562 Remote Similarity NPD6908 Approved
0.6562 Remote Similarity NPD6909 Approved
0.6557 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6557 Remote Similarity NPD5248 Approved
0.6557 Remote Similarity NPD5169 Approved
0.6557 Remote Similarity NPD5135 Approved
0.6557 Remote Similarity NPD5249 Phase 3
0.6557 Remote Similarity NPD4634 Approved
0.6557 Remote Similarity NPD5251 Approved
0.6557 Remote Similarity NPD5250 Approved
0.6557 Remote Similarity NPD5247 Approved
0.6541 Remote Similarity NPD6914 Discontinued
0.6518 Remote Similarity NPD4096 Approved
0.6504 Remote Similarity NPD5127 Approved
0.6504 Remote Similarity NPD5217 Approved
0.6504 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6504 Remote Similarity NPD5216 Approved
0.6504 Remote Similarity NPD5215 Approved
0.6491 Remote Similarity NPD5771 Approved
0.6486 Remote Similarity NPD5737 Approved
0.6486 Remote Similarity NPD6672 Approved
0.6486 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6476 Remote Similarity NPD3617 Approved
0.6466 Remote Similarity NPD7902 Approved
0.6462 Remote Similarity NPD7604 Phase 2
0.6455 Remote Similarity NPD4694 Approved
0.6455 Remote Similarity NPD5280 Approved
0.6442 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6435 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6429 Remote Similarity NPD6868 Approved
0.6415 Remote Similarity NPD4195 Approved
0.64 Remote Similarity NPD4632 Approved
0.6396 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6387 Remote Similarity NPD7632 Discontinued
0.6357 Remote Similarity NPD6054 Approved
0.6356 Remote Similarity NPD8418 Phase 2
0.6355 Remote Similarity NPD4695 Discontinued
0.6349 Remote Similarity NPD5167 Approved
0.6328 Remote Similarity NPD6335 Approved
0.6316 Remote Similarity NPD8035 Phase 2
0.6316 Remote Similarity NPD8034 Phase 2
0.6299 Remote Similarity NPD6274 Approved
0.6293 Remote Similarity NPD5695 Phase 3
0.6279 Remote Similarity NPD7100 Approved
0.6279 Remote Similarity NPD7101 Approved
0.6275 Remote Similarity NPD4691 Approved
0.6275 Remote Similarity NPD4747 Approved
0.6271 Remote Similarity NPD5696 Approved
0.6271 Remote Similarity NPD5290 Discontinued
0.6271 Remote Similarity NPD4225 Approved
0.6262 Remote Similarity NPD7645 Phase 2
0.626 Remote Similarity NPD6370 Approved
0.625 Remote Similarity NPD6317 Approved
0.625 Remote Similarity NPD6009 Approved
0.6241 Remote Similarity NPD7507 Approved
0.6239 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6231 Remote Similarity NPD6059 Approved
0.623 Remote Similarity NPD6008 Approved
0.6214 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6214 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6001 Approved
0.6207 Remote Similarity NPD7900 Approved
0.6207 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6202 Remote Similarity NPD6313 Approved
0.6202 Remote Similarity NPD6314 Approved
0.6195 Remote Similarity NPD4723 Approved
0.6195 Remote Similarity NPD4722 Approved
0.6183 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6183 Remote Similarity NPD6015 Approved
0.6183 Remote Similarity NPD6016 Approved
0.6179 Remote Similarity NPD6412 Phase 2
0.6176 Remote Similarity NPD4137 Phase 3
0.6174 Remote Similarity NPD5284 Approved
0.6174 Remote Similarity NPD5281 Approved
0.6168 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6165 Remote Similarity NPD7492 Approved
0.614 Remote Similarity NPD6673 Approved
0.614 Remote Similarity NPD6080 Approved
0.614 Remote Similarity NPD6904 Approved
0.6136 Remote Similarity NPD5988 Approved
0.6132 Remote Similarity NPD6117 Approved
0.6129 Remote Similarity NPD6686 Approved
0.6119 Remote Similarity NPD6616 Approved
0.6111 Remote Similarity NPD6929 Approved
0.6107 Remote Similarity NPD6319 Approved
0.6106 Remote Similarity NPD3573 Approved
0.6103 Remote Similarity NPD7319 Approved
0.6102 Remote Similarity NPD7614 Phase 1
0.6095 Remote Similarity NPD6924 Approved
0.6095 Remote Similarity NPD6926 Approved
0.6095 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6095 Remote Similarity NPD5733 Approved
0.6095 Remote Similarity NPD4058 Approved

Structure

External Identifiers

PubChem CID   56601866
ChEMBL   CHEMBL1835428
ZINC  

Physicochemical Properties

Molecular Weight:  411.28
ALogP:  0.8866
MLogP:  3.88
XLogP:  6.524
# Rotatable Bonds:  8
Polar Surface Area:  69.89
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  5
# Heavy Atoms:  30

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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