Natural Product: NPC473353

Natural Product ID:  NPC473353
Common Name:   (2R,6R)-2-Tridecyl-1,7-Dioxa-Dispiro[5.1.5.2]Pentadeca-9,12-Diene-4,11-Dione
IUPAC Name:   (4R,6R)-4-tridecyl-5,7-dioxadispiro[5.1.5^{8}.2^{6}]pentadeca-9,12-diene-2,11-dione
Synonyms:  
Molecular Formula:   C26H40O4
Standard InCHIKey:  VEJOGRTUHYXNOZ-AOYPEHQESA-N
Standard InCHI:  InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-20-23(28)21-26(29-24)19-18-25(30-26)16-14-22(27)15-17-25/h14-17,24H,2-13,18-21H2,1H3/t24-,26-/m1/s1
Canonical SMILES:  CCCCCCCCCCCCC[C@@H]1CC(=O)C[C@@]2(O1)CCC1(O2)C=CC(=O)C=C1
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
NPO17710 Amomum aculeatum Species Zingiberaceae Eukaryota PMID[18260638]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT858 Cell Line LNCaP Homo sapiens ED50 = 22.1 nM 15165148
NPT1034 Cell Line Lu1 Homo sapiens ED50 = 30.5 nM 17950604
NPT83 Cell Line MCF7 Homo sapiens ED50 = 7.5 nM 18271551

  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 NPC473353 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
0.878 High Similarity NPC471552
0.878 High Similarity NPC473339
0.8778 High Similarity NPC266842
0.8571 High Similarity NPC27314
0.8571 High Similarity NPC106912
0.8571 High Similarity NPC2379
0.8571 High Similarity NPC31019
0.8571 High Similarity NPC263087
0.7976 Intermediate Similarity NPC326753
0.7912 Intermediate Similarity NPC471569
0.7816 Intermediate Similarity NPC475690
0.7609 Intermediate Similarity NPC205548
0.7609 Intermediate Similarity NPC78008
0.7556 Intermediate Similarity NPC155873
0.7528 Intermediate Similarity NPC318468
0.7471 Intermediate Similarity NPC473980
0.7471 Intermediate Similarity NPC473981
0.7444 Intermediate Similarity NPC38569
0.7444 Intermediate Similarity NPC163615
0.7396 Intermediate Similarity NPC227494
0.7356 Intermediate Similarity NPC475699
0.7347 Intermediate Similarity NPC187761
0.7347 Intermediate Similarity NPC255592
0.7347 Intermediate Similarity NPC83895
0.7347 Intermediate Similarity NPC308567
0.7347 Intermediate Similarity NPC261377
0.7333 Intermediate Similarity NPC170286
0.7333 Intermediate Similarity NPC471570
0.7326 Intermediate Similarity NPC266119
0.7312 Intermediate Similarity NPC153570
0.7292 Intermediate Similarity NPC471496
0.7273 Intermediate Similarity NPC54705
0.7263 Intermediate Similarity NPC20713
0.7245 Intermediate Similarity NPC471462
0.7245 Intermediate Similarity NPC40812
0.7222 Intermediate Similarity NPC85772
0.7216 Intermediate Similarity NPC214694
0.7216 Intermediate Similarity NPC473334
0.7212 Intermediate Similarity NPC315836
0.7212 Intermediate Similarity NPC313668
0.7204 Intermediate Similarity NPC473248
0.7204 Intermediate Similarity NPC72513
0.7174 Intermediate Similarity NPC215364
0.7172 Intermediate Similarity NPC203627
0.7158 Intermediate Similarity NPC473455
0.7158 Intermediate Similarity NPC179394
0.7158 Intermediate Similarity NPC328935
0.7158 Intermediate Similarity NPC327183
0.7158 Intermediate Similarity NPC144133
0.7158 Intermediate Similarity NPC62815
0.7157 Intermediate Similarity NPC474917
0.7143 Intermediate Similarity NPC475947
0.7143 Intermediate Similarity NPC170377
0.7143 Intermediate Similarity NPC311166
0.7126 Intermediate Similarity NPC474447
0.7115 Intermediate Similarity NPC475960
0.7113 Intermediate Similarity NPC476267
0.7113 Intermediate Similarity NPC474338
0.7113 Intermediate Similarity NPC140543
0.7113 Intermediate Similarity NPC475572
0.7111 Intermediate Similarity NPC79277
0.7111 Intermediate Similarity NPC475481
0.71 Intermediate Similarity NPC473219
0.71 Intermediate Similarity NPC470761
0.7097 Intermediate Similarity NPC474045
0.7097 Intermediate Similarity NPC50637
0.7097 Intermediate Similarity NPC261253
0.7097 Intermediate Similarity NPC279859
0.7097 Intermediate Similarity NPC38576
0.7083 Intermediate Similarity NPC473944
0.7083 Intermediate Similarity NPC472705
0.7079 Intermediate Similarity NPC150646
0.7071 Intermediate Similarity NPC278506
0.7071 Intermediate Similarity NPC91695
0.7071 Intermediate Similarity NPC70145
0.7059 Intermediate Similarity NPC472747
0.7059 Intermediate Similarity NPC475367
0.7059 Intermediate Similarity NPC474581
0.7059 Intermediate Similarity NPC472750
0.7059 Intermediate Similarity NPC473816
0.7059 Intermediate Similarity NPC309398
0.7053 Intermediate Similarity NPC471054
0.7053 Intermediate Similarity NPC166919
0.7053 Intermediate Similarity NPC87306
0.7045 Intermediate Similarity NPC187568
0.7045 Intermediate Similarity NPC41780
0.7021 Intermediate Similarity NPC160138
0.7021 Intermediate Similarity NPC231889
0.7021 Intermediate Similarity NPC475703
0.7021 Intermediate Similarity NPC313658
0.7021 Intermediate Similarity NPC316138
0.7021 Intermediate Similarity NPC74139
0.701 Intermediate Similarity NPC475657
0.701 Intermediate Similarity NPC320089
0.7 Intermediate Similarity NPC472948
0.7 Intermediate Similarity NPC469920
0.7 Intermediate Similarity NPC474510
0.699 Remote Similarity NPC472748
0.699 Remote Similarity NPC305157
0.699 Remote Similarity NPC146731
0.699 Remote Similarity NPC307846
0.699 Remote Similarity NPC169843
0.6989 Remote Similarity NPC471060
0.6989 Remote Similarity NPC99395
0.6989 Remote Similarity NPC177932
0.6989 Remote Similarity NPC197903
0.6989 Remote Similarity NPC125290
0.6989 Remote Similarity NPC261380
0.6989 Remote Similarity NPC322529
0.6981 Remote Similarity NPC89408
0.6981 Remote Similarity NPC235014
0.6979 Remote Similarity NPC473311
0.6979 Remote Similarity NPC51004
0.6979 Remote Similarity NPC475855
0.6979 Remote Similarity NPC475748
0.6979 Remote Similarity NPC473448
0.6979 Remote Similarity NPC80875
0.6977 Remote Similarity NPC474705
0.6977 Remote Similarity NPC167145
0.697 Remote Similarity NPC143446
0.697 Remote Similarity NPC473291
0.697 Remote Similarity NPC230800
0.697 Remote Similarity NPC73858
0.697 Remote Similarity NPC476275
0.6966 Remote Similarity NPC128276
0.6961 Remote Similarity NPC313569
0.6961 Remote Similarity NPC149371
0.6961 Remote Similarity NPC223834
0.6957 Remote Similarity NPC272814
0.6957 Remote Similarity NPC69469
0.6957 Remote Similarity NPC250315
0.6952 Remote Similarity NPC193765
0.6947 Remote Similarity NPC469628
0.6947 Remote Similarity NPC106051
0.6947 Remote Similarity NPC471047
0.6947 Remote Similarity NPC473151
0.6947 Remote Similarity NPC469631
0.6947 Remote Similarity NPC475906
0.6947 Remote Similarity NPC469653
0.6939 Remote Similarity NPC88507
0.6939 Remote Similarity NPC471147
0.6939 Remote Similarity NPC2003
0.6939 Remote Similarity NPC256368
0.6939 Remote Similarity NPC25701
0.6932 Remote Similarity NPC27205
0.6923 Remote Similarity NPC25684
0.6923 Remote Similarity NPC275507
0.6923 Remote Similarity NPC472751
0.6923 Remote Similarity NPC471325
0.6923 Remote Similarity NPC281949
0.6923 Remote Similarity NPC141810
0.6923 Remote Similarity NPC476740
0.6923 Remote Similarity NPC301477
0.6923 Remote Similarity NPC476738
0.6923 Remote Similarity NPC472749
0.6915 Remote Similarity NPC47937
0.6915 Remote Similarity NPC284902
0.6915 Remote Similarity NPC469483
0.6907 Remote Similarity NPC65513
0.6907 Remote Similarity NPC30515
0.6907 Remote Similarity NPC32944
0.6907 Remote Similarity NPC233437
0.6907 Remote Similarity NPC284185
0.6907 Remote Similarity NPC476705
0.6907 Remote Similarity NPC193396
0.6907 Remote Similarity NPC207641
0.6907 Remote Similarity NPC477749
0.6907 Remote Similarity NPC470373
0.6907 Remote Similarity NPC470379
0.6907 Remote Similarity NPC221282
0.6907 Remote Similarity NPC473707
0.6905 Remote Similarity NPC218477
0.69 Remote Similarity NPC187159
0.69 Remote Similarity NPC476612
0.69 Remote Similarity NPC476613
0.6897 Remote Similarity NPC330016
0.6897 Remote Similarity NPC476355
0.6897 Remote Similarity NPC140287
0.6893 Remote Similarity NPC475945
0.6893 Remote Similarity NPC471365
0.6893 Remote Similarity NPC475871
0.6893 Remote Similarity NPC132395
0.6893 Remote Similarity NPC471364
0.6889 Remote Similarity NPC254996
0.6889 Remote Similarity NPC471299
0.6889 Remote Similarity NPC268502
0.6889 Remote Similarity NPC270126
0.6887 Remote Similarity NPC112457
0.6882 Remote Similarity NPC41856
0.6882 Remote Similarity NPC156804
0.6875 Remote Similarity NPC14901
0.6875 Remote Similarity NPC307411
0.6875 Remote Similarity NPC130359
0.6869 Remote Similarity NPC473369
0.6869 Remote Similarity NPC474947
0.6869 Remote Similarity NPC475659
0.6869 Remote Similarity NPC471141
0.6869 Remote Similarity NPC304886
0.6869 Remote Similarity NPC108141
0.6863 Remote Similarity NPC474339

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473353 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
0.7 Intermediate Similarity NPD8029 Clinical (unspecified phase)
0.6989 Remote Similarity NPD1694 Approved
0.6804 Remote Similarity NPD46 Approved
0.6804 Remote Similarity NPD6698 Approved
0.6792 Remote Similarity NPD6686 Approved
0.6768 Remote Similarity NPD5282 Discontinued
0.6633 Remote Similarity NPD5785 Approved
0.6606 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6542 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6522 Remote Similarity NPD8517 Approved
0.6522 Remote Similarity NPD8515 Approved
0.6522 Remote Similarity NPD8516 Approved
0.6522 Remote Similarity NPD8513 Phase 3
0.6489 Remote Similarity NPD5209 Approved
0.6489 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6458 Remote Similarity NPD5363 Approved
0.6458 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6444 Remote Similarity NPD8039 Approved
0.6435 Remote Similarity NPD6054 Approved
0.641 Remote Similarity NPD7642 Approved
0.6389 Remote Similarity NPD6412 Phase 2
0.6373 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6371 Approved
0.6364 Remote Similarity NPD1695 Approved
0.6337 Remote Similarity NPD5779 Approved
0.6337 Remote Similarity NPD5778 Approved
0.6325 Remote Similarity NPD6370 Approved
0.6316 Remote Similarity NPD7500 Approved
0.6311 Remote Similarity NPD7839 Suspended
0.6271 Remote Similarity NPD7829 Approved
0.6271 Remote Similarity NPD7830 Approved
0.625 Remote Similarity NPD8074 Phase 3
0.6239 Remote Similarity NPD6016 Approved
0.6239 Remote Similarity NPD6015 Approved
0.6238 Remote Similarity NPD7983 Approved
0.6218 Remote Similarity NPD7492 Approved
0.6211 Remote Similarity NPD5369 Approved
0.6186 Remote Similarity NPD5988 Approved
0.6167 Remote Similarity NPD6616 Approved
0.6163 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6059 Approved
0.6146 Remote Similarity NPD4269 Approved
0.6146 Remote Similarity NPD4270 Approved
0.6139 Remote Similarity NPD7838 Discovery
0.6116 Remote Similarity NPD7078 Approved
0.6106 Remote Similarity NPD6053 Discontinued
0.6092 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6092 Remote Similarity NPD7331 Phase 2
0.6066 Remote Similarity NPD7736 Approved
0.6063 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7146 Approved
0.6061 Remote Similarity NPD5330 Approved
0.6061 Remote Similarity NPD5786 Approved
0.6061 Remote Similarity NPD7521 Approved
0.6061 Remote Similarity NPD6409 Approved
0.6061 Remote Similarity NPD6684 Approved
0.6061 Remote Similarity NPD7334 Approved
0.604 Remote Similarity NPD6101 Approved
0.604 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6038 Remote Similarity NPD7638 Approved
0.6034 Remote Similarity NPD7115 Discovery
0.602 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6016 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD6008 Approved
0.6 Remote Similarity NPD4250 Approved
0.6 Remote Similarity NPD4251 Approved
0.5981 Remote Similarity NPD7639 Approved
0.5981 Remote Similarity NPD7640 Approved
0.5979 Remote Similarity NPD6435 Approved
0.5966 Remote Similarity NPD8444 Approved
0.5965 Remote Similarity NPD6882 Approved
0.5946 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5941 Remote Similarity NPD6672 Approved
0.5941 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5737 Approved
0.5941 Remote Similarity NPD6903 Approved
0.5938 Remote Similarity NPD4252 Approved
0.5922 Remote Similarity NPD5693 Phase 1
0.5922 Remote Similarity NPD6411 Approved
0.5918 Remote Similarity NPD7154 Phase 3
0.5902 Remote Similarity NPD7507 Approved
0.5902 Remote Similarity NPD8451 Approved
0.59 Remote Similarity NPD4249 Approved
0.5897 Remote Similarity NPD6009 Approved
0.5895 Remote Similarity NPD5784 Clinical (unspecified phase)
0.5893 Remote Similarity NPD5345 Clinical (unspecified phase)
0.5888 Remote Similarity NPD4225 Approved
0.5854 Remote Similarity NPD8448 Approved
0.5854 Remote Similarity NPD8293 Discontinued
0.5842 Remote Similarity NPD3573 Approved
0.5841 Remote Similarity NPD4061 Clinical (unspecified phase)
0.584 Remote Similarity NPD5956 Approved
0.5833 Remote Similarity NPD6648 Approved
0.5833 Remote Similarity NPD7503 Approved
0.581 Remote Similarity NPD7900 Approved
0.581 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5806 Remote Similarity NPD8336 Approved
0.5806 Remote Similarity NPD8337 Approved
0.5806 Remote Similarity NPD6033 Approved
0.5795 Remote Similarity NPD7341 Phase 2
0.5789 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5789 Remote Similarity NPD4756 Discovery
0.578 Remote Similarity NPD5344 Discontinued
0.5773 Remote Similarity NPD5368 Approved
0.5773 Remote Similarity NPD4822 Approved
0.5773 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5773 Remote Similarity NPD4821 Approved
0.5773 Remote Similarity NPD4819 Approved
0.5773 Remote Similarity NPD4820 Approved
0.5769 Remote Similarity NPD7637 Suspended
0.5758 Remote Similarity NPD5362 Discontinued
0.5755 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5752 Remote Similarity NPD6899 Approved
0.5752 Remote Similarity NPD6881 Approved
0.575 Remote Similarity NPD6319 Approved
0.5748 Remote Similarity NPD8338 Approved
0.5747 Remote Similarity NPD2664 Clinical (unspecified phase)
0.5743 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5739 Remote Similarity NPD7116 Clinical (unspecified phase)
0.5738 Remote Similarity NPD8328 Phase 3
0.5728 Remote Similarity NPD6673 Approved
0.5728 Remote Similarity NPD6080 Approved
0.5728 Remote Similarity NPD6904 Approved
0.5714 Remote Similarity NPD8392 Approved
0.5714 Remote Similarity NPD6399 Phase 3
0.5714 Remote Similarity NPD8391 Approved
0.5714 Remote Similarity NPD6914 Discontinued
0.5714 Remote Similarity NPD8390 Approved
0.5714 Remote Similarity NPD7641 Discontinued
0.5691 Remote Similarity NPD8299 Approved
0.5691 Remote Similarity NPD8342 Approved
0.5691 Remote Similarity NPD8341 Approved
0.5691 Remote Similarity NPD8340 Approved
0.5673 Remote Similarity NPD5207 Approved
0.5669 Remote Similarity NPD7260 Phase 2
0.5664 Remote Similarity NPD5697 Approved
0.566 Remote Similarity NPD7748 Approved
0.5656 Remote Similarity NPD8080 Discontinued
0.5652 Remote Similarity NPD6883 Approved
0.5652 Remote Similarity NPD7290 Approved
0.5652 Remote Similarity NPD7102 Approved
0.5652 Remote Similarity NPD4634 Approved
0.5648 Remote Similarity NPD6083 Phase 2
0.5648 Remote Similarity NPD6084 Phase 2
0.5648 Remote Similarity NPD7902 Approved
0.5644 Remote Similarity NPD6082 Clinical (unspecified phase)
0.5641 Remote Similarity NPD4632 Approved
0.5619 Remote Similarity NPD6079 Approved
0.5619 Remote Similarity NPD6050 Approved
0.5619 Remote Similarity NPD5694 Approved
0.5619 Remote Similarity NPD4810 Clinical (unspecified phase)
0.5614 Remote Similarity NPD6011 Approved
0.5612 Remote Similarity NPD8259 Clinical (unspecified phase)
0.561 Remote Similarity NPD6067 Discontinued
0.5607 Remote Similarity NPD5695 Phase 3
0.5603 Remote Similarity NPD6649 Approved
0.5603 Remote Similarity NPD6650 Approved
0.5603 Remote Similarity NPD6617 Approved
0.5603 Remote Similarity NPD6869 Approved
0.5603 Remote Similarity NPD6847 Approved
0.5603 Remote Similarity NPD8130 Phase 1
0.56 Remote Similarity NPD6110 Phase 1

Structure

External Identifiers

PubChem CID   24853746
ChEMBL   CHEMBL402280
ZINC  

Physicochemical Properties

Molecular Weight:  416.29
ALogP:  -3.7964
MLogP:  3.88
XLogP:  7.238
# Rotatable Bonds:  13
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  30

Download Data

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