Natural Product: NPC478108

Natural Product ID:  NPC478108
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C33H42O8
Standard InCHIKey:  DWXZAOPXBPXHQB-NCOLDTQESA-N
Standard InCHI:  InChI=1S/C33H42O8/c1-20(2)13-15-32-18-23-17-24(30(5,6)40-38)39-41-31(23,7)19-33(29(32)37,16-14-21(3)4)28(36)25(27(32)35)26(34)22-11-9-8-10-12-22/h8-14,23-24,36,38H,15-19H2,1-7H3/t23-,24+,31-,32-,33+/m1/s1
Canonical SMILES:  OOC([C@H]1OO[C@]2([C@H](C1)C[C@]1(CC=C(C)C)C(=O)C(=C([C@](C2)(C1=O)CC=C(C)C)O)C(=O)c1ccccc1)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
NPO33561 Triadenum japonicum Species Hypericaceae Eukaryota aerial parts Hokkaido, Japan 2012-JUL PMID[25602977]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20 Organism Candida albicans Candida albicans MIC = 8 ug/ml 25602977

  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 NPC478108 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
0.8699 High Similarity NPC476234
0.8583 High Similarity NPC146239
0.8516 High Similarity NPC316553
0.85 High Similarity NPC130591
0.85 High Similarity NPC234637
0.8417 Intermediate Similarity NPC471481
0.8359 Intermediate Similarity NPC294050
0.8359 Intermediate Similarity NPC328997
0.8346 Intermediate Similarity NPC325740
0.8333 Intermediate Similarity NPC218855
0.8333 Intermediate Similarity NPC144257
0.8321 Intermediate Similarity NPC471334
0.8226 Intermediate Similarity NPC268930
0.8203 Intermediate Similarity NPC472681
0.816 Intermediate Similarity NPC472697
0.816 Intermediate Similarity NPC472698
0.814 Intermediate Similarity NPC472693
0.814 Intermediate Similarity NPC472694
0.808 Intermediate Similarity NPC61651
0.8065 Intermediate Similarity NPC260886
0.8049 Intermediate Similarity NPC294458
0.791 Intermediate Similarity NPC472692
0.791 Intermediate Similarity NPC472682
0.7891 Intermediate Similarity NPC472680
0.7891 Intermediate Similarity NPC472679
0.7863 Intermediate Similarity NPC54647
0.784 Intermediate Similarity NPC215419
0.782 Intermediate Similarity NPC268607
0.7752 Intermediate Similarity NPC474222
0.7752 Intermediate Similarity NPC475804
0.7639 Intermediate Similarity NPC469856
0.7639 Intermediate Similarity NPC469854
0.7615 Intermediate Similarity NPC474223
0.7615 Intermediate Similarity NPC476225
0.7615 Intermediate Similarity NPC475827
0.7612 Intermediate Similarity NPC470648
0.7591 Intermediate Similarity NPC209851
0.7576 Intermediate Similarity NPC474159
0.7576 Intermediate Similarity NPC474254
0.7574 Intermediate Similarity NPC25736
0.7556 Intermediate Similarity NPC472678
0.754 Intermediate Similarity NPC477475
0.754 Intermediate Similarity NPC477476
0.7538 Intermediate Similarity NPC202015
0.7534 Intermediate Similarity NPC471970
0.752 Intermediate Similarity NPC265513
0.7519 Intermediate Similarity NPC328107
0.7519 Intermediate Similarity NPC323440
0.7519 Intermediate Similarity NPC222968
0.7519 Intermediate Similarity NPC80605
0.75 Intermediate Similarity NPC471971
0.75 Intermediate Similarity NPC469855
0.75 Intermediate Similarity NPC30846
0.75 Intermediate Similarity NPC471972
0.7483 Intermediate Similarity NPC473527
0.7413 Intermediate Similarity NPC294330
0.7413 Intermediate Similarity NPC187566
0.7402 Intermediate Similarity NPC93287
0.7402 Intermediate Similarity NPC470253
0.7395 Intermediate Similarity NPC240042
0.7385 Intermediate Similarity NPC94425
0.7385 Intermediate Similarity NPC471553
0.7377 Intermediate Similarity NPC247976
0.7372 Intermediate Similarity NPC225103
0.7343 Intermediate Similarity NPC46242
0.7343 Intermediate Similarity NPC91887
0.7343 Intermediate Similarity NPC28592
0.7343 Intermediate Similarity NPC42384
0.7343 Intermediate Similarity NPC23667
0.7343 Intermediate Similarity NPC157284
0.7343 Intermediate Similarity NPC51531
0.7343 Intermediate Similarity NPC297797
0.7343 Intermediate Similarity NPC165191
0.7343 Intermediate Similarity NPC50615
0.7343 Intermediate Similarity NPC473779
0.7343 Intermediate Similarity NPC289358
0.7343 Intermediate Similarity NPC469857
0.7343 Intermediate Similarity NPC473479
0.7343 Intermediate Similarity NPC5014
0.7343 Intermediate Similarity NPC477849
0.7343 Intermediate Similarity NPC114333
0.7343 Intermediate Similarity NPC149773
0.7343 Intermediate Similarity NPC245760
0.7339 Intermediate Similarity NPC100767
0.7329 Intermediate Similarity NPC127857
0.7328 Intermediate Similarity NPC318173
0.7323 Intermediate Similarity NPC292834
0.7319 Intermediate Similarity NPC262819
0.7319 Intermediate Similarity NPC471832
0.7319 Intermediate Similarity NPC472388
0.7319 Intermediate Similarity NPC473443
0.7315 Intermediate Similarity NPC132810
0.7315 Intermediate Similarity NPC306799
0.7315 Intermediate Similarity NPC46549
0.7315 Intermediate Similarity NPC264229
0.7315 Intermediate Similarity NPC101043
0.731 Intermediate Similarity NPC153214
0.731 Intermediate Similarity NPC95449
0.7308 Intermediate Similarity NPC469843
0.7299 Intermediate Similarity NPC51448
0.7299 Intermediate Similarity NPC115797
0.7293 Intermediate Similarity NPC472981
0.7292 Intermediate Similarity NPC473497
0.7286 Intermediate Similarity NPC15850
0.728 Intermediate Similarity NPC472683
0.728 Intermediate Similarity NPC472696
0.728 Intermediate Similarity NPC472701
0.728 Intermediate Similarity NPC472695
0.728 Intermediate Similarity NPC470007
0.7279 Intermediate Similarity NPC8493
0.7279 Intermediate Similarity NPC470649
0.7279 Intermediate Similarity NPC469375
0.7279 Intermediate Similarity NPC478107
0.7279 Intermediate Similarity NPC144247
0.7279 Intermediate Similarity NPC145301
0.7279 Intermediate Similarity NPC294679
0.7273 Intermediate Similarity NPC118366
0.7273 Intermediate Similarity NPC476645
0.7267 Intermediate Similarity NPC472548
0.7266 Intermediate Similarity NPC143768
0.7259 Intermediate Similarity NPC85511
0.7259 Intermediate Similarity NPC318067
0.7248 Intermediate Similarity NPC7095
0.7248 Intermediate Similarity NPC91730
0.7248 Intermediate Similarity NPC112216
0.7241 Intermediate Similarity NPC63737
0.7239 Intermediate Similarity NPC269923
0.7239 Intermediate Similarity NPC167323
0.7236 Intermediate Similarity NPC475939
0.7236 Intermediate Similarity NPC471829
0.7236 Intermediate Similarity NPC474866
0.7236 Intermediate Similarity NPC472691
0.7226 Intermediate Similarity NPC474106
0.7226 Intermediate Similarity NPC473423
0.7222 Intermediate Similarity NPC475282
0.7218 Intermediate Similarity NPC105709
0.7214 Intermediate Similarity NPC472394
0.7209 Intermediate Similarity NPC471721
0.7203 Intermediate Similarity NPC7464
0.72 Intermediate Similarity NPC51602
0.72 Intermediate Similarity NPC25385
0.72 Intermediate Similarity NPC193640
0.72 Intermediate Similarity NPC475905
0.72 Intermediate Similarity NPC197037
0.72 Intermediate Similarity NPC472699
0.72 Intermediate Similarity NPC472700
0.7192 Intermediate Similarity NPC45307
0.719 Intermediate Similarity NPC329387
0.719 Intermediate Similarity NPC317280
0.7188 Intermediate Similarity NPC280789
0.7185 Intermediate Similarity NPC65627
0.7183 Intermediate Similarity NPC477896
0.7183 Intermediate Similarity NPC477893
0.7181 Intermediate Similarity NPC250046
0.7181 Intermediate Similarity NPC60509
0.7181 Intermediate Similarity NPC81698
0.7181 Intermediate Similarity NPC273798
0.7177 Intermediate Similarity NPC329282
0.7172 Intermediate Similarity NPC474303
0.7172 Intermediate Similarity NPC475413
0.7172 Intermediate Similarity NPC242355
0.7171 Intermediate Similarity NPC472549
0.7154 Intermediate Similarity NPC474820
0.7154 Intermediate Similarity NPC475978
0.7154 Intermediate Similarity NPC217111
0.7152 Intermediate Similarity NPC477905
0.7143 Intermediate Similarity NPC471912
0.7143 Intermediate Similarity NPC80895
0.7133 Intermediate Similarity NPC472374
0.7133 Intermediate Similarity NPC198455
0.7133 Intermediate Similarity NPC161239
0.7133 Intermediate Similarity NPC472372
0.7133 Intermediate Similarity NPC165260
0.7132 Intermediate Similarity NPC469742
0.7114 Intermediate Similarity NPC217918
0.7114 Intermediate Similarity NPC205389
0.7107 Intermediate Similarity NPC477767
0.7105 Intermediate Similarity NPC242262
0.7105 Intermediate Similarity NPC472022
0.7105 Intermediate Similarity NPC473414
0.7105 Intermediate Similarity NPC472005
0.7105 Intermediate Similarity NPC472030
0.7105 Intermediate Similarity NPC134685
0.7105 Intermediate Similarity NPC11588
0.7105 Intermediate Similarity NPC158333
0.7105 Intermediate Similarity NPC265395
0.7105 Intermediate Similarity NPC248265
0.7105 Intermediate Similarity NPC304876
0.7105 Intermediate Similarity NPC257213
0.7105 Intermediate Similarity NPC229545
0.7105 Intermediate Similarity NPC256142
0.7105 Intermediate Similarity NPC1173
0.7105 Intermediate Similarity NPC219419
0.7105 Intermediate Similarity NPC77719
0.7105 Intermediate Similarity NPC249471
0.7105 Intermediate Similarity NPC237549
0.7103 Intermediate Similarity NPC251294
0.7103 Intermediate Similarity NPC477904
0.7103 Intermediate Similarity NPC183270
0.7101 Intermediate Similarity NPC48992

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478108 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
0.7661 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD7966 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.6992 Remote Similarity NPD7610 Discontinued
0.6972 Remote Similarity NPD7961 Discontinued
0.697 Remote Similarity NPD3317 Approved
0.696 Remote Similarity NPD1931 Clinical (unspecified phase)
0.696 Remote Similarity NPD1930 Approved
0.696 Remote Similarity NPD1929 Approved
0.694 Remote Similarity NPD7009 Phase 2
0.6829 Remote Similarity NPD3495 Discontinued
0.6822 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6777 Remote Similarity NPD7631 Approved
0.6746 Remote Similarity NPD1932 Approved
0.6742 Remote Similarity NPD6858 Approved
0.6742 Remote Similarity NPD7094 Approved
0.672 Remote Similarity NPD2066 Phase 3
0.6715 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6694 Remote Similarity NPD7609 Phase 3
0.6692 Remote Similarity NPD2329 Discontinued
0.6645 Remote Similarity NPD7236 Approved
0.6604 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6589 Remote Similarity NPD5048 Discontinued
0.6567 Remote Similarity NPD6010 Discontinued
0.6562 Remote Similarity NPD6647 Phase 2
0.6562 Remote Similarity NPD5765 Approved
0.6541 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6538 Remote Similarity NPD7239 Suspended
0.6538 Remote Similarity NPD6685 Approved
0.6519 Remote Similarity NPD5951 Approved
0.6515 Remote Similarity NPD1317 Discontinued
0.6512 Remote Similarity NPD1237 Approved
0.6506 Remote Similarity NPD7799 Discontinued
0.6503 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6453 Remote Similarity NPD8434 Phase 2
0.645 Remote Similarity NPD8368 Discontinued
0.6434 Remote Similarity NPD1470 Approved
0.6429 Remote Similarity NPD4879 Approved
0.6403 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6397 Remote Similarity NPD2629 Approved
0.6371 Remote Similarity NPD1088 Approved
0.637 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6364 Remote Similarity NPD650 Approved
0.6357 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6352 Remote Similarity NPD4380 Phase 2
0.6345 Remote Similarity NPD7084 Phase 3
0.6338 Remote Similarity NPD4878 Approved
0.6337 Remote Similarity NPD8407 Phase 2
0.6335 Remote Similarity NPD7819 Suspended
0.6328 Remote Similarity NPD7798 Approved
0.6299 Remote Similarity NPD4628 Phase 3
0.6296 Remote Similarity NPD6912 Phase 3
0.627 Remote Similarity NPD1693 Approved
0.6268 Remote Similarity NPD1201 Approved
0.6267 Remote Similarity NPD6651 Approved
0.6264 Remote Similarity NPD8150 Discontinued
0.626 Remote Similarity NPD5346 Phase 2
0.626 Remote Similarity NPD5909 Discontinued
0.626 Remote Similarity NPD5347 Phase 2
0.6259 Remote Similarity NPD7008 Discontinued
0.6242 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6241 Remote Similarity NPD2345 Approved
0.6235 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6234 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6224 Remote Similarity NPD3972 Approved
0.6222 Remote Similarity NPD2181 Clinical (unspecified phase)
0.622 Remote Similarity NPD7075 Discontinued
0.6218 Remote Similarity NPD3300 Phase 2
0.6211 Remote Similarity NPD7411 Suspended
0.621 Remote Similarity NPD1090 Approved
0.621 Remote Similarity NPD1086 Approved
0.621 Remote Similarity NPD1089 Approved
0.6209 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6194 Remote Similarity NPD8166 Discontinued
0.6194 Remote Similarity NPD2182 Approved
0.6193 Remote Similarity NPD8361 Approved
0.6193 Remote Similarity NPD8360 Approved
0.6193 Remote Similarity NPD8435 Approved
0.6188 Remote Similarity NPD3226 Approved
0.6188 Remote Similarity NPD7458 Discontinued
0.6187 Remote Similarity NPD405 Clinical (unspecified phase)
0.6184 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6184 Remote Similarity NPD2799 Discontinued
0.6182 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6181 Remote Similarity NPD5158 Clinical (unspecified phase)
0.6181 Remote Similarity NPD5157 Phase 1
0.6181 Remote Similarity NPD5159 Phase 2
0.6174 Remote Similarity NPD7715 Approved
0.6174 Remote Similarity NPD7714 Approved
0.6164 Remote Similarity NPD2798 Approved
0.6159 Remote Similarity NPD7057 Phase 3
0.6159 Remote Similarity NPD7058 Phase 2
0.6148 Remote Similarity NPD2067 Discontinued
0.6139 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6135 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6134 Remote Similarity NPD942 Approved
0.6133 Remote Similarity NPD943 Approved
0.6129 Remote Similarity NPD800 Approved
0.6129 Remote Similarity NPD2800 Approved
0.6127 Remote Similarity NPD2932 Approved
0.6111 Remote Similarity NPD1508 Approved
0.6111 Remote Similarity NPD6637 Approved
0.6107 Remote Similarity NPD2313 Discontinued
0.6104 Remote Similarity NPD2346 Discontinued
0.6099 Remote Similarity NPD7741 Discontinued
0.6098 Remote Similarity NPD4793 Discontinued
0.6095 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6087 Remote Similarity NPD2652 Approved
0.6087 Remote Similarity NPD2650 Approved
0.6082 Remote Similarity NPD8470 Clinical (unspecified phase)
0.6081 Remote Similarity NPD2613 Approved
0.608 Remote Similarity NPD3673 Approved
0.608 Remote Similarity NPD8424 Clinical (unspecified phase)
0.608 Remote Similarity NPD3672 Approved
0.6078 Remote Similarity NPD7305 Phase 1
0.6078 Remote Similarity NPD651 Clinical (unspecified phase)
0.6078 Remote Similarity NPD1510 Phase 2
0.6076 Remote Similarity NPD7390 Discontinued
0.6067 Remote Similarity NPD7713 Phase 3
0.6065 Remote Similarity NPD1549 Phase 2
0.6061 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6054 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6054 Remote Similarity NPD6085 Phase 2
0.6048 Remote Similarity NPD5494 Approved
0.6039 Remote Similarity NPD2796 Approved
0.6038 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6038 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6037 Remote Similarity NPD5760 Phase 2
0.6037 Remote Similarity NPD5761 Phase 2
0.6024 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6016 Remote Similarity NPD688 Clinical (unspecified phase)
0.6015 Remote Similarity NPD164 Approved
0.6014 Remote Similarity NPD3019 Approved
0.6 Remote Similarity NPD226 Approved
0.6 Remote Similarity NPD3764 Approved
0.6 Remote Similarity NPD6766 Clinical (unspecified phase)
0.6 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6 Remote Similarity NPD1552 Clinical (unspecified phase)
0.5989 Remote Similarity NPD8485 Approved
0.5988 Remote Similarity NPD7804 Clinical (unspecified phase)
0.5987 Remote Similarity NPD6398 Clinical (unspecified phase)
0.5986 Remote Similarity NPD9545 Approved
0.5976 Remote Similarity NPD1934 Approved
0.5975 Remote Similarity NPD8165 Discontinued
0.5974 Remote Similarity NPD3299 Clinical (unspecified phase)
0.5973 Remote Similarity NPD7055 Discontinued
0.597 Remote Similarity NPD1018 Approved
0.5969 Remote Similarity NPD1989 Approved
0.5969 Remote Similarity NPD1843 Approved
0.5968 Remote Similarity NPD1087 Approved
0.5965 Remote Similarity NPD7473 Discontinued
0.596 Remote Similarity NPD3087 Approved
0.596 Remote Similarity NPD3615 Approved
0.596 Remote Similarity NPD2573 Approved
0.596 Remote Similarity NPD2574 Discontinued
0.596 Remote Similarity NPD2570 Approved
0.596 Remote Similarity NPD3089 Approved
0.596 Remote Similarity NPD3616 Approved
0.596 Remote Similarity NPD3614 Approved
0.596 Remote Similarity NPD2572 Clinical (unspecified phase)
0.596 Remote Similarity NPD3090 Approved
0.596 Remote Similarity NPD4745 Approved
0.596 Remote Similarity NPD2566 Approved
0.596 Remote Similarity NPD3088 Approved
0.596 Remote Similarity NPD4746 Phase 3
0.596 Remote Similarity NPD2571 Approved
0.5951 Remote Similarity NPD6599 Discontinued
0.5946 Remote Similarity NPD4980 Approved
0.5944 Remote Similarity NPD7879 Clinical (unspecified phase)
0.5938 Remote Similarity NPD1202 Approved
0.5935 Remote Similarity NPD5408 Approved
0.5935 Remote Similarity NPD5406 Approved
0.5935 Remote Similarity NPD5405 Approved
0.5935 Remote Similarity NPD5404 Approved
0.5932 Remote Similarity NPD8055 Clinical (unspecified phase)
0.5931 Remote Similarity NPD4217 Approved
0.5931 Remote Similarity NPD4216 Approved
0.5931 Remote Similarity NPD4215 Approved
0.5931 Remote Similarity NPD6287 Discontinued
0.5931 Remote Similarity NPD3131 Approved
0.5931 Remote Similarity NPD4218 Approved
0.5931 Remote Similarity NPD3132 Approved
0.5931 Remote Similarity NPD2610 Approved
0.5931 Remote Similarity NPD1547 Clinical (unspecified phase)
0.5931 Remote Similarity NPD2611 Approved
0.5931 Remote Similarity NPD2609 Approved
0.5931 Remote Similarity NPD2612 Approved
0.5931 Remote Similarity NPD2608 Approved
0.5929 Remote Similarity NPD690 Clinical (unspecified phase)
0.5929 Remote Similarity NPD1711 Phase 2
0.5923 Remote Similarity NPD1564 Approved
0.5923 Remote Similarity NPD1566 Phase 3
0.5923 Remote Similarity NPD1565 Approved
0.5921 Remote Similarity NPD1240 Approved
0.5915 Remote Similarity NPD6065 Approved
0.5912 Remote Similarity NPD4634 Approved
0.5909 Remote Similarity NPD8313 Approved
0.5909 Remote Similarity NPD8312 Approved
0.5906 Remote Similarity NPD1239 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3422421
ZINC  

Physicochemical Properties

Molecular Weight:  566.29
ALogP:  4.0123
MLogP:  4.21
XLogP:  7.339
# Rotatable Bonds:  17
Polar Surface Area:  119.36
# H-Bond Aceptor:  8
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  41

Download Data

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