Natural Product: NPC475490

Natural Product ID:  NPC475490
Common Name:   Subtrifloralactone K
IUPAC Name:  
Synonyms:   Subtrifloralactone K
Molecular Formula:   C27H34O9
Standard InCHIKey:  WGNSSHTUPLHGIN-AEMODRNGSA-N
Standard InCHI:  InChI=1S/C27H34O9/c1-9-10(2)23(30)34-20(9)22-25(4,31)19-14-5-12-11-6-17-27(32)21(29)15(33-17)7-16(28)24(27,3)13(11)8-26(35-14,36-22)18(12)19/h9-15,17-20,22,31-32H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15+,17-,18-,19+,20?,22?,24+,25-,26+,27+/m1/s1
Canonical SMILES:  C[C@H]1C(=O)OC([C@@H]1C)C1O[C@@]23O[C@H]4[C@H]([C@@]1(C)O)[C@H]3[C@@H](C4)[C@H]1[C@H](C2)[C@@]2(C)C(=O)C[C@H]3C(=O)[C@]2([C@@H](C1)O3)O
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
NPO10122 Deprea subtriflora Species Solanaceae Eukaryota PMID[12932130]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio = 13.3 PubChem BioAssay data set
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.36 nM 10.6019/CHEMBL1201861

  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 NPC475490 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
0.8972 High Similarity NPC166079
0.8879 High Similarity NPC100078
0.8796 High Similarity NPC306776
0.8692 High Similarity NPC213528
0.8692 High Similarity NPC244969
0.8673 High Similarity NPC470115
0.8673 High Similarity NPC470116
0.8673 High Similarity NPC79193
0.8598 High Similarity NPC178853
0.8584 High Similarity NPC97002
0.8571 High Similarity NPC473062
0.8522 High Similarity NPC179429
0.8519 High Similarity NPC470172
0.844 Intermediate Similarity NPC473406
0.844 Intermediate Similarity NPC471253
0.8364 Intermediate Similarity NPC88469
0.8349 Intermediate Similarity NPC471254
0.8241 Intermediate Similarity NPC253995
0.8224 Intermediate Similarity NPC476728
0.8224 Intermediate Similarity NPC116683
0.8214 Intermediate Similarity NPC203974
0.8198 Intermediate Similarity NPC470167
0.8174 Intermediate Similarity NPC477489
0.8148 Intermediate Similarity NPC471241
0.8131 Intermediate Similarity NPC62407
0.8131 Intermediate Similarity NPC287354
0.8131 Intermediate Similarity NPC305808
0.8108 Intermediate Similarity NPC107385
0.8087 Intermediate Similarity NPC469824
0.807 Intermediate Similarity NPC236753
0.807 Intermediate Similarity NPC208333
0.807 Intermediate Similarity NPC227879
0.807 Intermediate Similarity NPC228190
0.7982 Intermediate Similarity NPC472273
0.7982 Intermediate Similarity NPC472079
0.7965 Intermediate Similarity NPC215408
0.7953 Intermediate Similarity NPC470117
0.7953 Intermediate Similarity NPC475376
0.7946 Intermediate Similarity NPC34562
0.7944 Intermediate Similarity NPC182740
0.7944 Intermediate Similarity NPC161035
0.7944 Intermediate Similarity NPC256104
0.7944 Intermediate Similarity NPC122083
0.7944 Intermediate Similarity NPC211845
0.7928 Intermediate Similarity NPC298266
0.7928 Intermediate Similarity NPC259654
0.7913 Intermediate Similarity NPC217041
0.7909 Intermediate Similarity NPC472144
0.7909 Intermediate Similarity NPC211087
0.7909 Intermediate Similarity NPC292775
0.7895 Intermediate Similarity NPC176756
0.7891 Intermediate Similarity NPC256618
0.7891 Intermediate Similarity NPC219058
0.789 Intermediate Similarity NPC475765
0.789 Intermediate Similarity NPC475785
0.7876 Intermediate Similarity NPC473526
0.7876 Intermediate Similarity NPC327093
0.7876 Intermediate Similarity NPC473701
0.787 Intermediate Similarity NPC206878
0.7863 Intermediate Similarity NPC477492
0.785 Intermediate Similarity NPC216137
0.7845 Intermediate Similarity NPC182185
0.7826 Intermediate Similarity NPC167044
0.7826 Intermediate Similarity NPC202898
0.7826 Intermediate Similarity NPC92890
0.7826 Intermediate Similarity NPC469826
0.7826 Intermediate Similarity NPC475319
0.7823 Intermediate Similarity NPC273962
0.7818 Intermediate Similarity NPC472145
0.7798 Intermediate Similarity NPC215570
0.7798 Intermediate Similarity NPC21897
0.7797 Intermediate Similarity NPC102619
0.7778 Intermediate Similarity NPC472238
0.7778 Intermediate Similarity NPC472237
0.7778 Intermediate Similarity NPC476189
0.7778 Intermediate Similarity NPC474379
0.7768 Intermediate Similarity NPC477172
0.776 Intermediate Similarity NPC2757
0.7759 Intermediate Similarity NPC233433
0.7759 Intermediate Similarity NPC273002
0.7759 Intermediate Similarity NPC94086
0.7759 Intermediate Similarity NPC220836
0.7759 Intermediate Similarity NPC321661
0.7759 Intermediate Similarity NPC473817
0.7759 Intermediate Similarity NPC320475
0.7759 Intermediate Similarity NPC92297
0.7739 Intermediate Similarity NPC290247
0.7739 Intermediate Similarity NPC469788
0.7739 Intermediate Similarity NPC469787
0.7731 Intermediate Similarity NPC477465
0.7727 Intermediate Similarity NPC193785
0.7712 Intermediate Similarity NPC98870
0.7706 Intermediate Similarity NPC477495
0.7706 Intermediate Similarity NPC247877
0.7706 Intermediate Similarity NPC470424
0.7706 Intermediate Similarity NPC309127
0.7692 Intermediate Similarity NPC470622
0.7679 Intermediate Similarity NPC20028
0.7679 Intermediate Similarity NPC41843
0.7672 Intermediate Similarity NPC316930
0.7664 Intermediate Similarity NPC61688
0.7661 Intermediate Similarity NPC267822
0.7658 Intermediate Similarity NPC278028
0.7658 Intermediate Similarity NPC470632
0.7658 Intermediate Similarity NPC266417
0.7658 Intermediate Similarity NPC328180
0.7658 Intermediate Similarity NPC74466
0.7656 Intermediate Similarity NPC42206
0.7652 Intermediate Similarity NPC168890
0.7647 Intermediate Similarity NPC471252
0.7627 Intermediate Similarity NPC272242
0.7615 Intermediate Similarity NPC472231
0.7615 Intermediate Similarity NPC472232
0.7615 Intermediate Similarity NPC228700
0.7611 Intermediate Similarity NPC475574
0.7611 Intermediate Similarity NPC162024
0.7607 Intermediate Similarity NPC469825
0.7607 Intermediate Similarity NPC274827
0.7603 Intermediate Similarity NPC470778
0.7603 Intermediate Similarity NPC473304
0.7603 Intermediate Similarity NPC146432
0.76 Intermediate Similarity NPC169818
0.7593 Intermediate Similarity NPC470114
0.7593 Intermediate Similarity NPC477433
0.7593 Intermediate Similarity NPC477442
0.7593 Intermediate Similarity NPC477444
0.7589 Intermediate Similarity NPC476294
0.7581 Intermediate Similarity NPC65858
0.757 Intermediate Similarity NPC128475
0.757 Intermediate Similarity NPC476435
0.7568 Intermediate Similarity NPC145553
0.7568 Intermediate Similarity NPC156377
0.7565 Intermediate Similarity NPC154962
0.7565 Intermediate Similarity NPC169089
0.7565 Intermediate Similarity NPC18044
0.7565 Intermediate Similarity NPC469827
0.7565 Intermediate Similarity NPC18433
0.7565 Intermediate Similarity NPC114365
0.7565 Intermediate Similarity NPC132304
0.7565 Intermediate Similarity NPC88890
0.7565 Intermediate Similarity NPC177518
0.7565 Intermediate Similarity NPC123070
0.7563 Intermediate Similarity NPC474927
0.7559 Intermediate Similarity NPC188291
0.7545 Intermediate Similarity NPC477224
0.7545 Intermediate Similarity NPC113500
0.7545 Intermediate Similarity NPC3538
0.7544 Intermediate Similarity NPC80191
0.7544 Intermediate Similarity NPC310031
0.7544 Intermediate Similarity NPC80640
0.7542 Intermediate Similarity NPC137104
0.7542 Intermediate Similarity NPC320383
0.7542 Intermediate Similarity NPC85391
0.7542 Intermediate Similarity NPC106760
0.7542 Intermediate Similarity NPC474786
0.7542 Intermediate Similarity NPC471093
0.754 Intermediate Similarity NPC104427
0.754 Intermediate Similarity NPC174367
0.754 Intermediate Similarity NPC47113
0.7523 Intermediate Similarity NPC474065
0.7523 Intermediate Similarity NPC475878
0.7522 Intermediate Similarity NPC80417
0.7521 Intermediate Similarity NPC220773
0.7521 Intermediate Similarity NPC88945
0.7521 Intermediate Similarity NPC278693
0.7521 Intermediate Similarity NPC63841
0.7521 Intermediate Similarity NPC16081
0.7521 Intermediate Similarity NPC173686
0.7521 Intermediate Similarity NPC89929
0.752 Intermediate Similarity NPC135038
0.752 Intermediate Similarity NPC43252
0.75 Intermediate Similarity NPC471459
0.75 Intermediate Similarity NPC477440
0.75 Intermediate Similarity NPC228311
0.75 Intermediate Similarity NPC41674
0.75 Intermediate Similarity NPC477443
0.75 Intermediate Similarity NPC67653
0.75 Intermediate Similarity NPC200580
0.75 Intermediate Similarity NPC469441
0.75 Intermediate Similarity NPC470478
0.75 Intermediate Similarity NPC285086
0.7481 Intermediate Similarity NPC171619
0.748 Intermediate Similarity NPC258592
0.748 Intermediate Similarity NPC178548
0.748 Intermediate Similarity NPC292290
0.7479 Intermediate Similarity NPC213320
0.7479 Intermediate Similarity NPC29505
0.7477 Intermediate Similarity NPC210658
0.7477 Intermediate Similarity NPC263802
0.7477 Intermediate Similarity NPC161928
0.7477 Intermediate Similarity NPC470920
0.7477 Intermediate Similarity NPC17336
0.7462 Intermediate Similarity NPC88668
0.746 Intermediate Similarity NPC473255
0.7458 Intermediate Similarity NPC131903
0.7458 Intermediate Similarity NPC87393
0.7456 Intermediate Similarity NPC108227
0.7456 Intermediate Similarity NPC477225
0.7456 Intermediate Similarity NPC472081
0.7456 Intermediate Similarity NPC476512

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475490 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
0.8091 Intermediate Similarity NPD1700 Approved
0.7876 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD4056 Clinical (unspecified phase)
0.7565 Intermediate Similarity NPD4057 Clinical (unspecified phase)
0.7422 Intermediate Similarity NPD7736 Approved
0.7344 Intermediate Similarity NPD7078 Approved
0.7323 Intermediate Similarity NPD7492 Approved
0.728 Intermediate Similarity NPD6059 Approved
0.728 Intermediate Similarity NPD6054 Approved
0.7266 Intermediate Similarity NPD6616 Approved
0.7231 Intermediate Similarity NPD7319 Approved
0.7227 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD8293 Discontinued
0.7177 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD6370 Approved
0.7087 Intermediate Similarity NPD6016 Approved
0.7087 Intermediate Similarity NPD6015 Approved
0.7031 Intermediate Similarity NPD5988 Approved
0.7008 Intermediate Similarity NPD6319 Approved
0.7 Intermediate Similarity NPD7507 Approved
0.6991 Remote Similarity NPD8171 Discontinued
0.6977 Remote Similarity NPD8328 Phase 3
0.6885 Remote Similarity NPD6373 Approved
0.6885 Remote Similarity NPD6372 Approved
0.6885 Remote Similarity NPD8132 Clinical (unspecified phase)
0.6855 Remote Similarity NPD6882 Approved
0.6822 Remote Similarity NPD6928 Phase 2
0.68 Remote Similarity NPD8133 Approved
0.6774 Remote Similarity NPD6649 Approved
0.6774 Remote Similarity NPD6650 Approved
0.6772 Remote Similarity NPD6009 Approved
0.6767 Remote Similarity NPD6033 Approved
0.672 Remote Similarity NPD8297 Approved
0.6692 Remote Similarity NPD6921 Approved
0.6667 Remote Similarity NPD7516 Approved
0.6667 Remote Similarity NPD7320 Approved
0.6639 Remote Similarity NPD6402 Approved
0.6639 Remote Similarity NPD5739 Approved
0.6639 Remote Similarity NPD7128 Approved
0.6639 Remote Similarity NPD6675 Approved
0.6636 Remote Similarity NPD6697 Approved
0.6636 Remote Similarity NPD6115 Approved
0.6636 Remote Similarity NPD6118 Approved
0.6636 Remote Similarity NPD6114 Approved
0.6589 Remote Similarity NPD7327 Approved
0.6589 Remote Similarity NPD7328 Approved
0.6542 Remote Similarity NPD6116 Phase 1
0.6535 Remote Similarity NPD4632 Approved
0.6532 Remote Similarity NPD6881 Approved
0.6532 Remote Similarity NPD6899 Approved
0.6509 Remote Similarity NPD3702 Approved
0.6466 Remote Similarity NPD8034 Phase 2
0.6466 Remote Similarity NPD8035 Phase 2
0.6452 Remote Similarity NPD6412 Phase 2
0.6452 Remote Similarity NPD5697 Approved
0.6452 Remote Similarity NPD5701 Approved
0.6449 Remote Similarity NPD6117 Approved
0.6439 Remote Similarity NPD8378 Approved
0.6439 Remote Similarity NPD8335 Approved
0.6439 Remote Similarity NPD8296 Approved
0.6439 Remote Similarity NPD8380 Approved
0.6439 Remote Similarity NPD8379 Approved
0.6434 Remote Similarity NPD6940 Discontinued
0.6429 Remote Similarity NPD6883 Approved
0.6429 Remote Similarity NPD7290 Approved
0.6429 Remote Similarity NPD7102 Approved
0.6378 Remote Similarity NPD6869 Approved
0.6378 Remote Similarity NPD6847 Approved
0.6378 Remote Similarity NPD6617 Approved
0.6378 Remote Similarity NPD8130 Phase 1
0.6371 Remote Similarity NPD6008 Approved
0.6364 Remote Similarity NPD8294 Approved
0.6364 Remote Similarity NPD8377 Approved
0.6355 Remote Similarity NPD3703 Phase 2
0.6349 Remote Similarity NPD6013 Approved
0.6349 Remote Similarity NPD6014 Approved
0.6349 Remote Similarity NPD6012 Approved
0.6343 Remote Similarity NPD7604 Phase 2
0.6339 Remote Similarity NPD3669 Approved
0.6339 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5983 Phase 2
0.6316 Remote Similarity NPD8033 Approved
0.6299 Remote Similarity NPD4634 Approved
0.627 Remote Similarity NPD6011 Approved
0.6262 Remote Similarity NPD6113 Clinical (unspecified phase)
0.625 Remote Similarity NPD6336 Discontinued
0.625 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6226 Remote Similarity NPD5777 Approved
0.6182 Remote Similarity NPD4238 Approved
0.6182 Remote Similarity NPD4802 Phase 2
0.6172 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6161 Remote Similarity NPD1780 Approved
0.6161 Remote Similarity NPD1779 Approved
0.6075 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6075 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5956 Approved
0.6066 Remote Similarity NPD4755 Approved
0.6066 Remote Similarity NPD6083 Phase 2
0.6066 Remote Similarity NPD6084 Phase 2
0.6061 Remote Similarity NPD6274 Approved
0.6045 Remote Similarity NPD7101 Approved
0.6045 Remote Similarity NPD7100 Approved
0.6033 Remote Similarity NPD7991 Discontinued
0.6016 Remote Similarity NPD5696 Approved
0.6015 Remote Similarity NPD7115 Discovery
0.6 Remote Similarity NPD6399 Phase 3
0.5981 Remote Similarity NPD4789 Approved
0.5981 Remote Similarity NPD4245 Approved
0.5981 Remote Similarity NPD4244 Approved
0.597 Remote Similarity NPD6335 Approved
0.5969 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5968 Remote Similarity NPD5286 Approved
0.5968 Remote Similarity NPD4696 Approved
0.5968 Remote Similarity NPD5285 Approved
0.5968 Remote Similarity NPD4700 Approved
0.5956 Remote Similarity NPD8515 Approved
0.5956 Remote Similarity NPD8513 Phase 3
0.5956 Remote Similarity NPD6908 Approved
0.5956 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5956 Remote Similarity NPD8516 Approved
0.5956 Remote Similarity NPD7503 Approved
0.5956 Remote Similarity NPD6909 Approved
0.5956 Remote Similarity NPD8517 Approved
0.5948 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5943 Remote Similarity NPD229 Approved
0.5943 Remote Similarity NPD5361 Clinical (unspecified phase)
0.5943 Remote Similarity NPD5360 Phase 3
0.5938 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6081 Approved
0.5902 Remote Similarity NPD5695 Phase 3
0.5896 Remote Similarity NPD6317 Approved
0.5891 Remote Similarity NPD6686 Approved
0.5888 Remote Similarity NPD3698 Phase 2
0.5888 Remote Similarity NPD3700 Clinical (unspecified phase)
0.5888 Remote Similarity NPD4267 Clinical (unspecified phase)
0.5888 Remote Similarity NPD3699 Clinical (unspecified phase)
0.5873 Remote Similarity NPD5225 Approved
0.5873 Remote Similarity NPD8138 Approved
0.5873 Remote Similarity NPD4633 Approved
0.5873 Remote Similarity NPD8086 Approved
0.5873 Remote Similarity NPD5211 Phase 2
0.5873 Remote Similarity NPD8083 Approved
0.5873 Remote Similarity NPD8082 Approved
0.5873 Remote Similarity NPD8139 Approved
0.5873 Remote Similarity NPD5226 Approved
0.5873 Remote Similarity NPD8085 Approved
0.5873 Remote Similarity NPD5224 Approved
0.5873 Remote Similarity NPD8084 Approved
0.587 Remote Similarity NPD6067 Discontinued
0.5859 Remote Similarity NPD8393 Approved
0.5859 Remote Similarity NPD4767 Approved
0.5859 Remote Similarity NPD4768 Approved
0.5852 Remote Similarity NPD6314 Approved
0.5852 Remote Similarity NPD6313 Approved
0.5841 Remote Similarity NPD7329 Approved
0.5833 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5827 Remote Similarity NPD8276 Approved
0.5827 Remote Similarity NPD5174 Approved
0.5827 Remote Similarity NPD8275 Approved
0.5827 Remote Similarity NPD5175 Approved
0.5806 Remote Similarity NPD7902 Approved
0.5794 Remote Similarity NPD5223 Approved
0.5781 Remote Similarity NPD5141 Approved
0.5781 Remote Similarity NPD8081 Approved
0.5772 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5769 Remote Similarity NPD4730 Approved
0.5769 Remote Similarity NPD4729 Approved
0.576 Remote Similarity NPD7638 Approved
0.5755 Remote Similarity NPD4224 Phase 2
0.5749 Remote Similarity NPD7799 Discontinued
0.5726 Remote Similarity NPD4697 Phase 3
0.5714 Remote Similarity NPD7639 Approved
0.5714 Remote Similarity NPD7640 Approved
0.5703 Remote Similarity NPD4754 Approved
0.5692 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5682 Remote Similarity NPD5251 Approved
0.5682 Remote Similarity NPD5247 Approved
0.5682 Remote Similarity NPD5250 Approved
0.5682 Remote Similarity NPD5249 Phase 3
0.5682 Remote Similarity NPD5248 Approved
0.5676 Remote Similarity NPD6334 Approved
0.5676 Remote Similarity NPD6333 Approved
0.566 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5649 Remote Similarity NPD5128 Approved
0.5639 Remote Similarity NPD8413 Clinical (unspecified phase)
0.5636 Remote Similarity NPD4758 Discontinued
0.5634 Remote Similarity NPD8074 Phase 3
0.563 Remote Similarity NPD6098 Approved
0.5625 Remote Similarity NPD7632 Discontinued
0.5625 Remote Similarity NPD8301 Approved
0.5625 Remote Similarity NPD8300 Approved
0.562 Remote Similarity NPD6080 Approved
0.562 Remote Similarity NPD6673 Approved
0.562 Remote Similarity NPD6904 Approved
0.5614 Remote Similarity NPD5364 Discontinued
0.5612 Remote Similarity NPD8267 Approved
0.5612 Remote Similarity NPD8266 Approved
0.5612 Remote Similarity NPD8268 Approved
0.5612 Remote Similarity NPD8269 Approved

Structure

External Identifiers

PubChem CID   44559646
ChEMBL   CHEMBL506612
ZINC  

Physicochemical Properties

Molecular Weight:  502.22
ALogP:  -2.2273
MLogP:  3.44
XLogP:  -0.298
# Rotatable Bonds:  7
Polar Surface Area:  128.59
# H-Bond Aceptor:  9
# H-Bond Donor:  2
# Rings:  8
# Heavy Atoms:  36

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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