Natural Product: NPC472011

Natural Product ID:  NPC472011
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H34O6
Standard InCHIKey:  AFCSVFPVLSEQQA-PHNSNYLUSA-N
Standard InCHI:  InChI=1S/C25H34O6/c1-15(2)23(31-28)7-6-16(3)8-20-9-17(4)12-25(29-20)13-19(14-26)21-11-22(27)18(5)10-24(21)30-25/h8,10,12-13,20-21,23-24,26,28H,1,6-7,9,11,14H2,2-5H3/b16-8+/t20-,21-,23-,24-,25+/m1/s1
Canonical SMILES:  OO[C@@H](C(=C)C)CC/C(=C/[C@@H]1CC(=C[C@@]2(O1)C=C(CO)[C@@H]1[C@H](O2)C=C(C(=O)C1)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
NPO32877 phorbas Genus Hymedesmiidae Eukaryota PMID[25124114]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT376 Cell Line A498 Homo sapiens IC50 > 50000 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens IC50 > 50000 nM 17242150
NPT2 Others Unspecified IC50 > 50000 nM 17242150

  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 NPC472011 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
0.9878 High Similarity NPC241054
0.9759 High Similarity NPC106051
0.9643 High Similarity NPC471054
0.9419 High Similarity NPC472010
0.8977 High Similarity NPC471059
0.871 High Similarity NPC472012
0.8295 Intermediate Similarity NPC471060
0.8222 Intermediate Similarity NPC471058
0.8222 Intermediate Similarity NPC471057
0.8111 Intermediate Similarity NPC471056
0.8111 Intermediate Similarity NPC471055
0.7586 Intermediate Similarity NPC471061
0.75 Intermediate Similarity NPC93763
0.75 Intermediate Similarity NPC108816
0.7473 Intermediate Similarity NPC40746
0.7473 Intermediate Similarity NPC169575
0.7419 Intermediate Similarity NPC47220
0.7419 Intermediate Similarity NPC186332
0.7396 Intermediate Similarity NPC141831
0.7386 Intermediate Similarity NPC116177
0.7386 Intermediate Similarity NPC320630
0.7386 Intermediate Similarity NPC7563
0.7356 Intermediate Similarity NPC315552
0.734 Intermediate Similarity NPC316138
0.734 Intermediate Similarity NPC313658
0.7327 Intermediate Similarity NPC472637
0.7312 Intermediate Similarity NPC470755
0.7312 Intermediate Similarity NPC242233
0.7303 Intermediate Similarity NPC326753
0.7292 Intermediate Similarity NPC232426
0.7292 Intermediate Similarity NPC281942
0.7292 Intermediate Similarity NPC265856
0.7292 Intermediate Similarity NPC253186
0.7283 Intermediate Similarity NPC116543
0.7283 Intermediate Similarity NPC16488
0.7283 Intermediate Similarity NPC44261
0.7283 Intermediate Similarity NPC473390
0.7283 Intermediate Similarity NPC131669
0.7255 Intermediate Similarity NPC201191
0.7255 Intermediate Similarity NPC134077
0.7255 Intermediate Similarity NPC235369
0.7253 Intermediate Similarity NPC112868
0.7253 Intermediate Similarity NPC24417
0.7245 Intermediate Similarity NPC256368
0.7245 Intermediate Similarity NPC476415
0.7245 Intermediate Similarity NPC298973
0.7245 Intermediate Similarity NPC104925
0.7241 Intermediate Similarity NPC476590
0.7241 Intermediate Similarity NPC114727
0.7234 Intermediate Similarity NPC305475
0.7234 Intermediate Similarity NPC475461
0.7234 Intermediate Similarity NPC316426
0.7234 Intermediate Similarity NPC315395
0.7216 Intermediate Similarity NPC477749
0.7204 Intermediate Similarity NPC96259
0.7204 Intermediate Similarity NPC141193
0.7204 Intermediate Similarity NPC476804
0.7204 Intermediate Similarity NPC158756
0.72 Intermediate Similarity NPC76266
0.72 Intermediate Similarity NPC266842
0.7188 Intermediate Similarity NPC206001
0.7188 Intermediate Similarity NPC218927
0.7188 Intermediate Similarity NPC268298
0.7174 Intermediate Similarity NPC229825
0.717 Intermediate Similarity NPC137911
0.717 Intermediate Similarity NPC228477
0.7158 Intermediate Similarity NPC300779
0.7157 Intermediate Similarity NPC469657
0.7157 Intermediate Similarity NPC63249
0.7157 Intermediate Similarity NPC244456
0.7143 Intermediate Similarity NPC162205
0.7143 Intermediate Similarity NPC238090
0.7143 Intermediate Similarity NPC472195
0.7143 Intermediate Similarity NPC273579
0.7143 Intermediate Similarity NPC91034
0.7143 Intermediate Similarity NPC472196
0.7143 Intermediate Similarity NPC476416
0.7143 Intermediate Similarity NPC288240
0.7143 Intermediate Similarity NPC295204
0.7129 Intermediate Similarity NPC198422
0.7129 Intermediate Similarity NPC478056
0.7129 Intermediate Similarity NPC473154
0.7129 Intermediate Similarity NPC40182
0.7129 Intermediate Similarity NPC203627
0.7128 Intermediate Similarity NPC165162
0.7128 Intermediate Similarity NPC476426
0.7128 Intermediate Similarity NPC21469
0.7128 Intermediate Similarity NPC28887
0.7128 Intermediate Similarity NPC163606
0.7128 Intermediate Similarity NPC255307
0.7126 Intermediate Similarity NPC316851
0.7115 Intermediate Similarity NPC118911
0.7113 Intermediate Similarity NPC473455
0.7113 Intermediate Similarity NPC3952
0.7113 Intermediate Similarity NPC129419
0.7111 Intermediate Similarity NPC267231
0.7111 Intermediate Similarity NPC196653
0.7111 Intermediate Similarity NPC471465
0.7103 Intermediate Similarity NPC37116
0.7097 Intermediate Similarity NPC27314
0.7097 Intermediate Similarity NPC59097
0.7097 Intermediate Similarity NPC297398
0.7097 Intermediate Similarity NPC31019
0.7097 Intermediate Similarity NPC286770
0.7097 Intermediate Similarity NPC2379
0.7097 Intermediate Similarity NPC263087
0.7097 Intermediate Similarity NPC284472
0.7097 Intermediate Similarity NPC106912
0.7097 Intermediate Similarity NPC229799
0.7093 Intermediate Similarity NPC4299
0.7087 Intermediate Similarity NPC475320
0.7087 Intermediate Similarity NPC136289
0.7083 Intermediate Similarity NPC136879
0.7083 Intermediate Similarity NPC477302
0.7083 Intermediate Similarity NPC476805
0.7083 Intermediate Similarity NPC475819
0.7079 Intermediate Similarity NPC68819
0.7071 Intermediate Similarity NPC159698
0.7071 Intermediate Similarity NPC475572
0.7071 Intermediate Similarity NPC2003
0.7071 Intermediate Similarity NPC25701
0.7071 Intermediate Similarity NPC71589
0.7071 Intermediate Similarity NPC469697
0.7064 Intermediate Similarity NPC157441
0.7059 Intermediate Similarity NPC476274
0.7059 Intermediate Similarity NPC472644
0.7054 Intermediate Similarity NPC474179
0.7054 Intermediate Similarity NPC475834
0.7053 Intermediate Similarity NPC220478
0.7053 Intermediate Similarity NPC469910
0.7053 Intermediate Similarity NPC311163
0.7045 Intermediate Similarity NPC476355
0.7045 Intermediate Similarity NPC140287
0.7045 Intermediate Similarity NPC215050
0.7041 Intermediate Similarity NPC470379
0.7041 Intermediate Similarity NPC473321
0.7041 Intermediate Similarity NPC470373
0.7033 Intermediate Similarity NPC98557
0.7033 Intermediate Similarity NPC167881
0.7033 Intermediate Similarity NPC139712
0.7033 Intermediate Similarity NPC321728
0.7033 Intermediate Similarity NPC270126
0.703 Intermediate Similarity NPC20066
0.703 Intermediate Similarity NPC474343
0.703 Intermediate Similarity NPC170131
0.7021 Intermediate Similarity NPC474865
0.7021 Intermediate Similarity NPC70424
0.7021 Intermediate Similarity NPC191476
0.7021 Intermediate Similarity NPC114979
0.7021 Intermediate Similarity NPC31086
0.7021 Intermediate Similarity NPC243618
0.7021 Intermediate Similarity NPC126518
0.7019 Intermediate Similarity NPC197541
0.7019 Intermediate Similarity NPC234304
0.7019 Intermediate Similarity NPC118761
0.7019 Intermediate Similarity NPC284929
0.7019 Intermediate Similarity NPC151516
0.7019 Intermediate Similarity NPC267869
0.7011 Intermediate Similarity NPC477086
0.7011 Intermediate Similarity NPC477087
0.701 Intermediate Similarity NPC87306
0.701 Intermediate Similarity NPC477748
0.701 Intermediate Similarity NPC295312
0.701 Intermediate Similarity NPC307092
0.701 Intermediate Similarity NPC133450
0.701 Intermediate Similarity NPC5509
0.701 Intermediate Similarity NPC212598
0.7 Intermediate Similarity NPC227494
0.7 Intermediate Similarity NPC315394
0.7 Intermediate Similarity NPC170204
0.7 Intermediate Similarity NPC469543
0.7 Intermediate Similarity NPC97516
0.699 Remote Similarity NPC28304
0.699 Remote Similarity NPC476240
0.699 Remote Similarity NPC476223
0.699 Remote Similarity NPC298255
0.699 Remote Similarity NPC469851
0.699 Remote Similarity NPC472643
0.699 Remote Similarity NPC81530
0.699 Remote Similarity NPC224720
0.6989 Remote Similarity NPC11383
0.6989 Remote Similarity NPC310450
0.6989 Remote Similarity NPC474959
0.6989 Remote Similarity NPC471298
0.6989 Remote Similarity NPC279186
0.6989 Remote Similarity NPC10080
0.6989 Remote Similarity NPC475046
0.6989 Remote Similarity NPC123908
0.6979 Remote Similarity NPC312561
0.6979 Remote Similarity NPC476079
0.6979 Remote Similarity NPC113370
0.6979 Remote Similarity NPC45409
0.6979 Remote Similarity NPC103743
0.6977 Remote Similarity NPC101622
0.6977 Remote Similarity NPC151481
0.6972 Remote Similarity NPC236217
0.6972 Remote Similarity NPC194951
0.6972 Remote Similarity NPC12046
0.697 Remote Similarity NPC189651
0.697 Remote Similarity NPC109406

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472011 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
0.73 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6400 Clinical (unspecified phase)
0.6768 Remote Similarity NPD46 Approved
0.6768 Remote Similarity NPD5785 Approved
0.6768 Remote Similarity NPD6698 Approved
0.6737 Remote Similarity NPD6110 Phase 1
0.6667 Remote Similarity NPD6053 Discontinued
0.6606 Remote Similarity NPD6686 Approved
0.6598 Remote Similarity NPD5363 Approved
0.6596 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6579 Remote Similarity NPD7115 Discovery
0.6577 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6571 Remote Similarity NPD7640 Approved
0.6571 Remote Similarity NPD7639 Approved
0.6505 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6496 Remote Similarity NPD8513 Phase 3
0.6476 Remote Similarity NPD7638 Approved
0.6476 Remote Similarity NPD4225 Approved
0.6471 Remote Similarity NPD5778 Approved
0.6471 Remote Similarity NPD5779 Approved
0.6471 Remote Similarity NPD6399 Phase 3
0.6436 Remote Similarity NPD7838 Discovery
0.6429 Remote Similarity NPD1694 Approved
0.6429 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6392 Remote Similarity NPD7154 Phase 3
0.6383 Remote Similarity NPD4271 Approved
0.6383 Remote Similarity NPD4268 Approved
0.6381 Remote Similarity NPD7902 Approved
0.6372 Remote Similarity NPD6882 Approved
0.6364 Remote Similarity NPD5786 Approved
0.6364 Remote Similarity NPD6412 Phase 2
0.6356 Remote Similarity NPD8515 Approved
0.6356 Remote Similarity NPD8517 Approved
0.6356 Remote Similarity NPD8516 Approved
0.6337 Remote Similarity NPD6101 Approved
0.6337 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6289 Remote Similarity NPD4269 Approved
0.6289 Remote Similarity NPD4270 Approved
0.6286 Remote Similarity NPD7839 Suspended
0.6283 Remote Similarity NPD7116 Clinical (unspecified phase)
0.6277 Remote Similarity NPD4756 Discovery
0.625 Remote Similarity NPD7748 Approved
0.625 Remote Similarity NPD4822 Approved
0.625 Remote Similarity NPD7331 Phase 2
0.625 Remote Similarity NPD4820 Approved
0.625 Remote Similarity NPD4252 Approved
0.625 Remote Similarity NPD4821 Approved
0.625 Remote Similarity NPD4819 Approved
0.6224 Remote Similarity NPD5362 Discontinued
0.6214 Remote Similarity NPD7515 Phase 2
0.6214 Remote Similarity NPD7983 Approved
0.6214 Remote Similarity NPD6411 Approved
0.6214 Remote Similarity NPD6079 Approved
0.62 Remote Similarity NPD3618 Phase 1
0.6195 Remote Similarity NPD6371 Approved
0.6176 Remote Similarity NPD5328 Approved
0.6163 Remote Similarity NPD368 Approved
0.6162 Remote Similarity NPD4786 Approved
0.6162 Remote Similarity NPD3133 Approved
0.6162 Remote Similarity NPD3665 Phase 1
0.6162 Remote Similarity NPD3666 Approved
0.6161 Remote Similarity NPD6899 Approved
0.6161 Remote Similarity NPD6881 Approved
0.6147 Remote Similarity NPD5211 Phase 2
0.614 Remote Similarity NPD6650 Approved
0.614 Remote Similarity NPD6649 Approved
0.6139 Remote Similarity NPD4250 Approved
0.6139 Remote Similarity NPD4251 Approved
0.6126 Remote Similarity NPD5739 Approved
0.6126 Remote Similarity NPD7128 Approved
0.6126 Remote Similarity NPD6402 Approved
0.6126 Remote Similarity NPD6675 Approved
0.6122 Remote Similarity NPD3667 Approved
0.6122 Remote Similarity NPD5209 Approved
0.6122 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6122 Remote Similarity NPD6435 Approved
0.6106 Remote Similarity NPD6372 Approved
0.6106 Remote Similarity NPD6373 Approved
0.61 Remote Similarity NPD1696 Phase 3
0.6098 Remote Similarity NPD8074 Phase 3
0.6095 Remote Similarity NPD7900 Approved
0.6095 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6082 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6082 Remote Similarity NPD4695 Discontinued
0.6075 Remote Similarity NPD6084 Phase 2
0.6075 Remote Similarity NPD6083 Phase 2
0.6071 Remote Similarity NPD5697 Approved
0.6061 Remote Similarity NPD5331 Approved
0.6061 Remote Similarity NPD5332 Approved
0.6058 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6055 Remote Similarity NPD5344 Discontinued
0.6053 Remote Similarity NPD7290 Approved
0.6053 Remote Similarity NPD6883 Approved
0.6053 Remote Similarity NPD7102 Approved
0.6042 Remote Similarity NPD5784 Clinical (unspecified phase)
0.604 Remote Similarity NPD5330 Approved
0.604 Remote Similarity NPD7334 Approved
0.604 Remote Similarity NPD4249 Approved
0.604 Remote Similarity NPD6409 Approved
0.604 Remote Similarity NPD7521 Approved
0.604 Remote Similarity NPD6684 Approved
0.604 Remote Similarity NPD7146 Approved
0.6036 Remote Similarity NPD5141 Approved
0.6024 Remote Similarity NPD342 Phase 1
0.602 Remote Similarity NPD5369 Approved
0.602 Remote Similarity NPD4790 Discontinued
0.6019 Remote Similarity NPD5370 Suspended
0.6018 Remote Similarity NPD7320 Approved
0.6018 Remote Similarity NPD6011 Approved
0.6017 Remote Similarity NPD7500 Approved
0.6 Remote Similarity NPD8130 Phase 1
0.6 Remote Similarity NPD6617 Approved
0.6 Remote Similarity NPD6869 Approved
0.6 Remote Similarity NPD7632 Discontinued
0.6 Remote Similarity NPD6054 Approved
0.6 Remote Similarity NPD6847 Approved
0.5981 Remote Similarity NPD5221 Approved
0.5981 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5981 Remote Similarity NPD4697 Phase 3
0.5981 Remote Similarity NPD5222 Approved
0.5965 Remote Similarity NPD6013 Approved
0.5965 Remote Similarity NPD6014 Approved
0.5965 Remote Similarity NPD6012 Approved
0.5963 Remote Similarity NPD4696 Approved
0.5963 Remote Similarity NPD5285 Approved
0.5963 Remote Similarity NPD5286 Approved
0.5955 Remote Similarity NPD2685 Clinical (unspecified phase)
0.5955 Remote Similarity NPD7341 Phase 2
0.595 Remote Similarity NPD7503 Approved
0.5948 Remote Similarity NPD8297 Approved
0.5946 Remote Similarity NPD6647 Phase 2
0.5929 Remote Similarity NPD5701 Approved
0.5929 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5926 Remote Similarity NPD4755 Approved
0.5926 Remote Similarity NPD5173 Approved
0.5922 Remote Similarity NPD6672 Approved
0.5922 Remote Similarity NPD5737 Approved
0.5922 Remote Similarity NPD6903 Approved
0.5922 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5918 Remote Similarity NPD5368 Approved
0.5909 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5909 Remote Similarity NPD5223 Approved
0.5905 Remote Similarity NPD7637 Suspended
0.5902 Remote Similarity NPD6370 Approved
0.5895 Remote Similarity NPD8039 Approved
0.5889 Remote Similarity NPD3704 Approved
0.5888 Remote Similarity NPD4629 Approved
0.5888 Remote Similarity NPD5210 Approved
0.5888 Remote Similarity NPD5695 Phase 3
0.5887 Remote Similarity NPD7507 Approved
0.5882 Remote Similarity NPD5279 Phase 3
0.5882 Remote Similarity NPD6422 Discontinued
0.5882 Remote Similarity NPD6009 Approved
0.5882 Remote Similarity NPD4623 Approved
0.5882 Remote Similarity NPD4519 Discontinued
0.5872 Remote Similarity NPD5696 Approved
0.5868 Remote Similarity NPD6059 Approved
0.5865 Remote Similarity NPD4753 Phase 2
0.5862 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5862 Remote Similarity NPD4246 Clinical (unspecified phase)
0.5856 Remote Similarity NPD5226 Approved
0.5856 Remote Similarity NPD4633 Approved
0.5856 Remote Similarity NPD5224 Approved
0.5856 Remote Similarity NPD5225 Approved
0.5854 Remote Similarity NPD7830 Approved
0.5854 Remote Similarity NPD7829 Approved
0.5854 Remote Similarity NPD7642 Approved
0.5854 Remote Similarity NPD8328 Phase 3
0.5849 Remote Similarity NPD4202 Approved
0.5833 Remote Similarity NPD7641 Discontinued
0.5824 Remote Similarity NPD4247 Clinical (unspecified phase)
0.582 Remote Similarity NPD6016 Approved
0.582 Remote Similarity NPD6015 Approved
0.5818 Remote Similarity NPD4700 Approved
0.5818 Remote Similarity NPD6648 Approved
0.5806 Remote Similarity NPD7492 Approved
0.5804 Remote Similarity NPD5174 Approved
0.5804 Remote Similarity NPD5175 Approved
0.5794 Remote Similarity NPD5282 Discontinued
0.5784 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5781 Remote Similarity NPD7260 Phase 2
0.5772 Remote Similarity NPD5988 Approved
0.5772 Remote Similarity NPD7624 Clinical (unspecified phase)
0.5772 Remote Similarity NPD7623 Phase 3
0.576 Remote Similarity NPD6616 Approved
0.5755 Remote Similarity NPD5284 Approved
0.5755 Remote Similarity NPD5693 Phase 1
0.5755 Remote Similarity NPD5281 Approved
0.5748 Remote Similarity NPD7319 Approved
0.5738 Remote Similarity NPD7299 Clinical (unspecified phase)
0.5729 Remote Similarity NPD8264 Approved
0.5728 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7078 Approved
0.5714 Remote Similarity NPD6051 Approved
0.5714 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5702 Remote Similarity NPD7328 Approved
0.5702 Remote Similarity NPD6008 Approved
0.5702 Remote Similarity NPD7327 Approved
0.5702 Remote Similarity NPD6335 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3322968
ZINC  

Physicochemical Properties

Molecular Weight:  430.24
ALogP:  2.5385
MLogP:  3.55
XLogP:  1.109
# Rotatable Bonds:  13
Polar Surface Area:  85.22
# H-Bond Aceptor:  6
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  31

Download Data

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