Natural Product: NPC472863

Natural Product ID:  NPC472863
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C28H40O4
Standard InCHIKey:  HHOHGMGBNVADCJ-UYMVREGVSA-N
Standard InCHI:  InChI=1S/C28H40O4/c1-18(2)19(3)10-11-20(4)22-12-13-23-21(24(29)14-16-27(22,23)5)17-26(31)32-28(6)15-8-7-9-25(28)30/h7,9-11,17-20,22-23H,8,12-16H2,1-6H3/b11-10+,21-17-/t19-,20+,22+,23-,27+,28+/m0/s1
Canonical SMILES:  O=C(O[C@]1(C)CCC=CC1=O)/C=C/1C(=O)CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)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
NPO33483 diaporthe sp. Species Diaporthaceae Eukaryota PMID[26186257]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1228 Organism Streptococcus pyogenes Streptococcus pyogenes MIC > 10 ug/ml 8864235
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 5 ug/ml 18430492
NPT19 Organism Escherichia coli Escherichia coli MIC > 10 ug/ml 17844994
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 1 ug/ml 17844994
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 10 ug/ml PubChem BioAssay data set

  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 NPC472863 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
0.8256 Intermediate Similarity NPC474790
0.8256 Intermediate Similarity NPC474976
0.8111 Intermediate Similarity NPC305039
0.8111 Intermediate Similarity NPC474844
0.809 Intermediate Similarity NPC75315
0.809 Intermediate Similarity NPC163016
0.8065 Intermediate Similarity NPC171395
0.8046 Intermediate Similarity NPC118423
0.8023 Intermediate Similarity NPC475833
0.8 Intermediate Similarity NPC190211
0.798 Intermediate Similarity NPC475294
0.7978 Intermediate Similarity NPC168248
0.7952 Intermediate Similarity NPC65650
0.7931 Intermediate Similarity NPC94200
0.7931 Intermediate Similarity NPC268122
0.7912 Intermediate Similarity NPC285982
0.7912 Intermediate Similarity NPC177141
0.7882 Intermediate Similarity NPC470052
0.7882 Intermediate Similarity NPC105197
0.7872 Intermediate Similarity NPC33473
0.7865 Intermediate Similarity NPC189311
0.7857 Intermediate Similarity NPC27205
0.7835 Intermediate Similarity NPC310981
0.7831 Intermediate Similarity NPC20025
0.7826 Intermediate Similarity NPC471818
0.7791 Intermediate Similarity NPC471299
0.7778 Intermediate Similarity NPC220478
0.7766 Intermediate Similarity NPC476596
0.7753 Intermediate Similarity NPC474359
0.7753 Intermediate Similarity NPC475100
0.7727 Intermediate Similarity NPC327969
0.7727 Intermediate Similarity NPC469805
0.7727 Intermediate Similarity NPC142253
0.7727 Intermediate Similarity NPC321289
0.7727 Intermediate Similarity NPC469804
0.7727 Intermediate Similarity NPC3511
0.7727 Intermediate Similarity NPC472239
0.7717 Intermediate Similarity NPC262043
0.7717 Intermediate Similarity NPC284561
0.7684 Intermediate Similarity NPC470978
0.7684 Intermediate Similarity NPC295347
0.7684 Intermediate Similarity NPC470974
0.7667 Intermediate Similarity NPC8571
0.766 Intermediate Similarity NPC476598
0.766 Intermediate Similarity NPC476597
0.7647 Intermediate Similarity NPC40353
0.7647 Intermediate Similarity NPC474463
0.764 Intermediate Similarity NPC3856
0.764 Intermediate Similarity NPC222358
0.764 Intermediate Similarity NPC279639
0.7634 Intermediate Similarity NPC273199
0.7629 Intermediate Similarity NPC98868
0.7619 Intermediate Similarity NPC309852
0.7609 Intermediate Similarity NPC196407
0.7596 Intermediate Similarity NPC475524
0.7596 Intermediate Similarity NPC100267
0.7596 Intermediate Similarity NPC221144
0.7579 Intermediate Similarity NPC148463
0.7576 Intermediate Similarity NPC308351
0.7576 Intermediate Similarity NPC271266
0.7558 Intermediate Similarity NPC470557
0.7556 Intermediate Similarity NPC320801
0.7556 Intermediate Similarity NPC87552
0.7556 Intermediate Similarity NPC149869
0.7556 Intermediate Similarity NPC164577
0.7553 Intermediate Similarity NPC204341
0.7529 Intermediate Similarity NPC476346
0.7528 Intermediate Similarity NPC200513
0.7528 Intermediate Similarity NPC469806
0.7528 Intermediate Similarity NPC100297
0.7528 Intermediate Similarity NPC469799
0.7528 Intermediate Similarity NPC472867
0.7528 Intermediate Similarity NPC186276
0.7527 Intermediate Similarity NPC5509
0.7526 Intermediate Similarity NPC476253
0.7526 Intermediate Similarity NPC202705
0.7526 Intermediate Similarity NPC110937
0.7526 Intermediate Similarity NPC208094
0.75 Intermediate Similarity NPC470044
0.75 Intermediate Similarity NPC469797
0.75 Intermediate Similarity NPC303613
0.75 Intermediate Similarity NPC281134
0.75 Intermediate Similarity NPC469798
0.75 Intermediate Similarity NPC136948
0.75 Intermediate Similarity NPC128644
0.75 Intermediate Similarity NPC47747
0.75 Intermediate Similarity NPC470954
0.75 Intermediate Similarity NPC293052
0.75 Intermediate Similarity NPC276336
0.75 Intermediate Similarity NPC470045
0.75 Intermediate Similarity NPC474228
0.75 Intermediate Similarity NPC251705
0.7474 Intermediate Similarity NPC229976
0.7474 Intermediate Similarity NPC472871
0.7474 Intermediate Similarity NPC469939
0.7473 Intermediate Similarity NPC29447
0.7473 Intermediate Similarity NPC60350
0.7473 Intermediate Similarity NPC137493
0.7473 Intermediate Similarity NPC269638
0.7471 Intermediate Similarity NPC471220
0.7451 Intermediate Similarity NPC91034
0.7449 Intermediate Similarity NPC222011
0.7449 Intermediate Similarity NPC252295
0.7447 Intermediate Similarity NPC476437
0.7447 Intermediate Similarity NPC476369
0.7447 Intermediate Similarity NPC472866
0.7444 Intermediate Similarity NPC22611
0.7444 Intermediate Similarity NPC168188
0.7444 Intermediate Similarity NPC470015
0.7444 Intermediate Similarity NPC97913
0.7444 Intermediate Similarity NPC193198
0.7442 Intermediate Similarity NPC69408
0.7442 Intermediate Similarity NPC473223
0.7426 Intermediate Similarity NPC189616
0.7419 Intermediate Similarity NPC215831
0.7419 Intermediate Similarity NPC117122
0.7419 Intermediate Similarity NPC226863
0.7419 Intermediate Similarity NPC472870
0.7416 Intermediate Similarity NPC477372
0.7412 Intermediate Similarity NPC474797
0.7412 Intermediate Similarity NPC474796
0.7412 Intermediate Similarity NPC329866
0.7404 Intermediate Similarity NPC37116
0.7404 Intermediate Similarity NPC473627
0.74 Intermediate Similarity NPC475320
0.7396 Intermediate Similarity NPC120351
0.7396 Intermediate Similarity NPC166143
0.7396 Intermediate Similarity NPC477129
0.7396 Intermediate Similarity NPC471994
0.7396 Intermediate Similarity NPC476415
0.7396 Intermediate Similarity NPC38830
0.7396 Intermediate Similarity NPC477130
0.7391 Intermediate Similarity NPC261253
0.7391 Intermediate Similarity NPC472869
0.7391 Intermediate Similarity NPC474045
0.7386 Intermediate Similarity NPC469620
0.7386 Intermediate Similarity NPC469690
0.7383 Intermediate Similarity NPC148458
0.7381 Intermediate Similarity NPC305501
0.7381 Intermediate Similarity NPC234707
0.7381 Intermediate Similarity NPC115023
0.7381 Intermediate Similarity NPC54123
0.7381 Intermediate Similarity NPC257618
0.7379 Intermediate Similarity NPC220155
0.7368 Intermediate Similarity NPC218301
0.7368 Intermediate Similarity NPC473986
0.7368 Intermediate Similarity NPC474018
0.7368 Intermediate Similarity NPC45579
0.7368 Intermediate Similarity NPC473944
0.7368 Intermediate Similarity NPC221282
0.7368 Intermediate Similarity NPC190442
0.7363 Intermediate Similarity NPC181743
0.7363 Intermediate Similarity NPC31086
0.7363 Intermediate Similarity NPC472865
0.7363 Intermediate Similarity NPC178025
0.7363 Intermediate Similarity NPC16287
0.7356 Intermediate Similarity NPC180290
0.7353 Intermediate Similarity NPC470267
0.7353 Intermediate Similarity NPC127790
0.7347 Intermediate Similarity NPC84335
0.7347 Intermediate Similarity NPC253826
0.7347 Intermediate Similarity NPC69385
0.7347 Intermediate Similarity NPC38530
0.7347 Intermediate Similarity NPC2049
0.7347 Intermediate Similarity NPC151488
0.734 Intermediate Similarity NPC280833
0.734 Intermediate Similarity NPC173042
0.734 Intermediate Similarity NPC73995
0.734 Intermediate Similarity NPC288699
0.734 Intermediate Similarity NPC66344
0.7333 Intermediate Similarity NPC240302
0.7333 Intermediate Similarity NPC320514
0.7327 Intermediate Similarity NPC474330
0.7327 Intermediate Similarity NPC474207
0.7326 Intermediate Similarity NPC293803
0.732 Intermediate Similarity NPC209355
0.732 Intermediate Similarity NPC127197
0.7315 Intermediate Similarity NPC243065
0.7315 Intermediate Similarity NPC239273
0.7312 Intermediate Similarity NPC477228
0.7312 Intermediate Similarity NPC181327
0.7312 Intermediate Similarity NPC476293
0.7312 Intermediate Similarity NPC236618
0.73 Intermediate Similarity NPC472643
0.73 Intermediate Similarity NPC99411
0.73 Intermediate Similarity NPC476223
0.73 Intermediate Similarity NPC224720
0.73 Intermediate Similarity NPC168319
0.73 Intermediate Similarity NPC476240
0.73 Intermediate Similarity NPC194028
0.7294 Intermediate Similarity NPC180015
0.7294 Intermediate Similarity NPC130016
0.7294 Intermediate Similarity NPC109576
0.7294 Intermediate Similarity NPC56747
0.7292 Intermediate Similarity NPC248193
0.7292 Intermediate Similarity NPC475657
0.7292 Intermediate Similarity NPC242069
0.7292 Intermediate Similarity NPC202824
0.7292 Intermediate Similarity NPC477361
0.7283 Intermediate Similarity NPC11711

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472863 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
0.8333 Intermediate Similarity NPD5693 Phase 1
0.8111 Intermediate Similarity NPD6904 Approved
0.8111 Intermediate Similarity NPD6673 Approved
0.8111 Intermediate Similarity NPD6080 Approved
0.8 Intermediate Similarity NPD5737 Approved
0.8 Intermediate Similarity NPD6672 Approved
0.7935 Intermediate Similarity NPD6050 Approved
0.7935 Intermediate Similarity NPD5694 Approved
0.7826 Intermediate Similarity NPD5692 Phase 3
0.7778 Intermediate Similarity NPD6098 Approved
0.7528 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7526 Intermediate Similarity NPD6083 Phase 2
0.7526 Intermediate Similarity NPD6084 Phase 2
0.75 Intermediate Similarity NPD5695 Phase 3
0.732 Intermediate Similarity NPD5654 Approved
0.7283 Intermediate Similarity NPD1694 Approved
0.7282 Intermediate Similarity NPD6614 Approved
0.7273 Intermediate Similarity NPD5696 Approved
0.7263 Intermediate Similarity NPD5207 Approved
0.7262 Intermediate Similarity NPD4747 Approved
0.7262 Intermediate Similarity NPD4691 Approved
0.7234 Intermediate Similarity NPD5208 Approved
0.7212 Intermediate Similarity NPD6899 Approved
0.7212 Intermediate Similarity NPD6881 Approved
0.7209 Intermediate Similarity NPD5733 Approved
0.7209 Intermediate Similarity NPD4058 Approved
0.7209 Intermediate Similarity NPD4687 Approved
0.7204 Intermediate Similarity NPD7334 Approved
0.7204 Intermediate Similarity NPD7146 Approved
0.7204 Intermediate Similarity NPD6409 Approved
0.7204 Intermediate Similarity NPD6684 Approved
0.7204 Intermediate Similarity NPD5330 Approved
0.7204 Intermediate Similarity NPD5690 Phase 2
0.7204 Intermediate Similarity NPD7521 Approved
0.7176 Intermediate Similarity NPD5276 Approved
0.7172 Intermediate Similarity NPD5959 Approved
0.7143 Intermediate Similarity NPD4137 Phase 3
0.7143 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD5697 Approved
0.7097 Intermediate Similarity NPD5329 Approved
0.7083 Intermediate Similarity NPD5785 Approved
0.7075 Intermediate Similarity NPD7102 Approved
0.7075 Intermediate Similarity NPD7290 Approved
0.7075 Intermediate Similarity NPD6883 Approved
0.7053 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6903 Approved
0.7048 Intermediate Similarity NPD6011 Approved
0.7019 Intermediate Similarity NPD7128 Approved
0.7019 Intermediate Similarity NPD5739 Approved
0.7019 Intermediate Similarity NPD6402 Approved
0.7019 Intermediate Similarity NPD6675 Approved
0.701 Intermediate Similarity NPD5284 Approved
0.701 Intermediate Similarity NPD5281 Approved
0.7009 Intermediate Similarity NPD6650 Approved
0.7009 Intermediate Similarity NPD6617 Approved
0.7009 Intermediate Similarity NPD8130 Phase 1
0.7009 Intermediate Similarity NPD6847 Approved
0.7009 Intermediate Similarity NPD6649 Approved
0.7009 Intermediate Similarity NPD6869 Approved
0.7 Intermediate Similarity NPD7115 Discovery
0.6989 Remote Similarity NPD4197 Approved
0.6981 Remote Similarity NPD6012 Approved
0.6981 Remote Similarity NPD6013 Approved
0.6981 Remote Similarity NPD6014 Approved
0.6947 Remote Similarity NPD3573 Approved
0.6944 Remote Similarity NPD8297 Approved
0.6944 Remote Similarity NPD6882 Approved
0.6939 Remote Similarity NPD6399 Phase 3
0.6932 Remote Similarity NPD8039 Approved
0.6923 Remote Similarity NPD4695 Discontinued
0.6889 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7320 Approved
0.6869 Remote Similarity NPD6001 Approved
0.6842 Remote Similarity NPD4694 Approved
0.6842 Remote Similarity NPD5280 Approved
0.6822 Remote Similarity NPD6373 Approved
0.6822 Remote Similarity NPD6372 Approved
0.6804 Remote Similarity NPD6051 Approved
0.6804 Remote Similarity NPD4753 Phase 2
0.68 Remote Similarity NPD4629 Approved
0.68 Remote Similarity NPD5210 Approved
0.6792 Remote Similarity NPD5701 Approved
0.6774 Remote Similarity NPD4221 Approved
0.6774 Remote Similarity NPD5209 Approved
0.6774 Remote Similarity NPD4223 Phase 3
0.6697 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5279 Phase 3
0.6667 Remote Similarity NPD7637 Suspended
0.6667 Remote Similarity NPD6052 Approved
0.6637 Remote Similarity NPD6335 Approved
0.6633 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6628 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6607 Remote Similarity NPD6868 Approved
0.6602 Remote Similarity NPD7638 Approved
0.6579 Remote Similarity NPD7100 Approved
0.6579 Remote Similarity NPD7101 Approved
0.6571 Remote Similarity NPD5211 Phase 2
0.6569 Remote Similarity NPD5222 Approved
0.6569 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6569 Remote Similarity NPD5221 Approved
0.6562 Remote Similarity NPD5363 Approved
0.6549 Remote Similarity NPD6317 Approved
0.6548 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6542 Remote Similarity NPD6008 Approved
0.6538 Remote Similarity NPD4696 Approved
0.6538 Remote Similarity NPD7640 Approved
0.6538 Remote Similarity NPD5286 Approved
0.6538 Remote Similarity NPD5285 Approved
0.6538 Remote Similarity NPD7639 Approved
0.6531 Remote Similarity NPD4518 Approved
0.6526 Remote Similarity NPD5362 Discontinued
0.6526 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6522 Remote Similarity NPD3617 Approved
0.6505 Remote Similarity NPD5173 Approved
0.65 Remote Similarity NPD6079 Approved
0.6495 Remote Similarity NPD5205 Approved
0.6495 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6495 Remote Similarity NPD4689 Approved
0.6495 Remote Similarity NPD4693 Phase 3
0.6495 Remote Similarity NPD4138 Approved
0.6495 Remote Similarity NPD4519 Discontinued
0.6495 Remote Similarity NPD4690 Approved
0.6495 Remote Similarity NPD4688 Approved
0.6495 Remote Similarity NPD4623 Approved
0.6491 Remote Similarity NPD6314 Approved
0.6491 Remote Similarity NPD6313 Approved
0.6476 Remote Similarity NPD5223 Approved
0.646 Remote Similarity NPD6274 Approved
0.6458 Remote Similarity NPD4786 Approved
0.6458 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6452 Remote Similarity NPD4195 Approved
0.6449 Remote Similarity NPD5141 Approved
0.6429 Remote Similarity NPD4632 Approved
0.6415 Remote Similarity NPD5226 Approved
0.6415 Remote Similarity NPD4633 Approved
0.6415 Remote Similarity NPD5224 Approved
0.6415 Remote Similarity NPD5091 Approved
0.6415 Remote Similarity NPD5225 Approved
0.6413 Remote Similarity NPD4756 Discovery
0.6404 Remote Similarity NPD6009 Approved
0.6395 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6383 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6404 Discontinued
0.6379 Remote Similarity NPD6319 Approved
0.6373 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6373 Remote Similarity NPD7900 Approved
0.6373 Remote Similarity NPD7748 Approved
0.6356 Remote Similarity NPD7604 Phase 2
0.6355 Remote Similarity NPD5175 Approved
0.6355 Remote Similarity NPD5174 Approved
0.6346 Remote Similarity NPD4755 Approved
0.6339 Remote Similarity NPD6053 Discontinued
0.6325 Remote Similarity NPD5983 Phase 2
0.6316 Remote Similarity NPD5369 Approved
0.6311 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6303 Remote Similarity NPD7492 Approved
0.63 Remote Similarity NPD5328 Approved
0.6289 Remote Similarity NPD3668 Phase 3
0.6289 Remote Similarity NPD3665 Phase 1
0.6289 Remote Similarity NPD3133 Approved
0.6289 Remote Similarity NPD3666 Approved
0.6286 Remote Similarity NPD4225 Approved
0.6275 Remote Similarity NPD5133 Approved
0.6273 Remote Similarity NPD6686 Approved
0.625 Remote Similarity NPD4697 Phase 3
0.625 Remote Similarity NPD6616 Approved
0.625 Remote Similarity NPD6336 Discontinued
0.625 Remote Similarity NPD4270 Approved
0.625 Remote Similarity NPD4269 Approved
0.625 Remote Similarity NPD3667 Approved
0.6239 Remote Similarity NPD6054 Approved
0.6238 Remote Similarity NPD4096 Approved
0.6226 Remote Similarity NPD4700 Approved
0.6211 Remote Similarity NPD4252 Approved
0.6198 Remote Similarity NPD7078 Approved
0.619 Remote Similarity NPD7902 Approved
0.6186 Remote Similarity NPD7154 Phase 3
0.6186 Remote Similarity NPD6909 Approved
0.6186 Remote Similarity NPD6908 Approved
0.6186 Remote Similarity NPD6291 Clinical (unspecified phase)
0.6182 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6176 Remote Similarity NPD6411 Approved
0.6176 Remote Similarity NPD7515 Phase 2
0.6162 Remote Similarity NPD5786 Approved
0.6162 Remote Similarity NPD3618 Phase 1
0.6161 Remote Similarity NPD6371 Approved
0.6148 Remote Similarity NPD7736 Approved
0.6139 Remote Similarity NPD1695 Approved
0.6134 Remote Similarity NPD6370 Approved
0.6129 Remote Similarity NPD7260 Phase 2
0.6126 Remote Similarity NPD4729 Approved
0.6126 Remote Similarity NPD4730 Approved
0.6118 Remote Similarity NPD4194 Approved
0.6118 Remote Similarity NPD4193 Approved
0.6118 Remote Similarity NPD4192 Approved
0.6118 Remote Similarity NPD4191 Approved
0.6117 Remote Similarity NPD5779 Approved
0.6117 Remote Similarity NPD5778 Approved
0.6117 Remote Similarity NPD4202 Approved
0.6095 Remote Similarity NPD7732 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3593354
ZINC  

Physicochemical Properties

Molecular Weight:  440.29
ALogP:  2.5966
MLogP:  4.1
XLogP:  7.365
# Rotatable Bonds:  13
Polar Surface Area:  60.44
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  32

Download Data

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