Natural Product: NPC470648

Natural Product ID:  NPC470648
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Rel-Doitunggarcinone A
Molecular Formula:   C33H40O4
Standard InCHIKey:  UYZKQHVOVDMESQ-JTONLIGHSA-N
Standard InCHI:  InChI=1S/C33H40O4/c1-19(2)12-13-21-16-31-17-24-28(5,6)23-11-9-8-10-22(23)25(34)32(24)27(36)30(26(31)35,15-14-20(3)4)18-29(21,7)33(31,32)37/h8-11,14,21,24,37H,1,12-13,15-18H2,2-7H3/t21-,24?,29-,30+,31-,32?,33-/m1/s1
Canonical SMILES:  CC(=CC[C@]12C[C@]3(C)[C@@H](C[C@@]4(C1=O)[C@]3(C1(C2=O)C(=O)c2ccccc2C(C1C4)(C)C)O)CCC(=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
NPO32914 garcinia propinqua Species Clusiaceae Eukaryota Twigs PMID[22963193]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT566 Organism Salmonella typhimurium Salmonella enterica subsp. enterica serovar Typhimurium MIC = 128 ug/ml 22276679
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 24900739
NPT19 Organism Escherichia coli Escherichia coli MIC = 128 ug/ml 19231864

  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 NPC470648 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
0.9917 High Similarity NPC472678
0.8926 High Similarity NPC472697
0.8926 High Similarity NPC472698
0.8661 High Similarity NPC478107
0.8661 High Similarity NPC470649
0.8512 High Similarity NPC234637
0.8512 High Similarity NPC130591
0.843 Intermediate Similarity NPC471481
0.8359 Intermediate Similarity NPC472681
0.8347 Intermediate Similarity NPC218855
0.824 Intermediate Similarity NPC268930
0.8195 Intermediate Similarity NPC471334
0.8195 Intermediate Similarity NPC472682
0.8195 Intermediate Similarity NPC472692
0.8189 Intermediate Similarity NPC472679
0.8189 Intermediate Similarity NPC472680
0.8145 Intermediate Similarity NPC215419
0.8125 Intermediate Similarity NPC476234
0.808 Intermediate Similarity NPC260886
0.803 Intermediate Similarity NPC48992
0.8017 Intermediate Similarity NPC472701
0.8017 Intermediate Similarity NPC472695
0.8017 Intermediate Similarity NPC472696
0.8017 Intermediate Similarity NPC472683
0.7984 Intermediate Similarity NPC93287
0.7983 Intermediate Similarity NPC471829
0.7983 Intermediate Similarity NPC472691
0.7983 Intermediate Similarity NPC474866
0.7983 Intermediate Similarity NPC475939
0.797 Intermediate Similarity NPC316553
0.7934 Intermediate Similarity NPC472700
0.7934 Intermediate Similarity NPC472699
0.792 Intermediate Similarity NPC294458
0.7879 Intermediate Similarity NPC472694
0.7879 Intermediate Similarity NPC472693
0.7823 Intermediate Similarity NPC265513
0.782 Intermediate Similarity NPC294050
0.782 Intermediate Similarity NPC328997
0.7786 Intermediate Similarity NPC269923
0.7786 Intermediate Similarity NPC167323
0.7778 Intermediate Similarity NPC471721
0.7769 Intermediate Similarity NPC476225
0.7761 Intermediate Similarity NPC474106
0.7761 Intermediate Similarity NPC146239
0.7674 Intermediate Similarity NPC61651
0.7669 Intermediate Similarity NPC325740
0.7669 Intermediate Similarity NPC85511
0.7642 Intermediate Similarity NPC85560
0.7642 Intermediate Similarity NPC244933
0.7626 Intermediate Similarity NPC329913
0.7626 Intermediate Similarity NPC126516
0.7619 Intermediate Similarity NPC280789
0.7612 Intermediate Similarity NPC478108
0.7578 Intermediate Similarity NPC274839
0.7559 Intermediate Similarity NPC470253
0.7557 Intermediate Similarity NPC476645
0.7557 Intermediate Similarity NPC202015
0.7554 Intermediate Similarity NPC144257
0.7554 Intermediate Similarity NPC472656
0.7541 Intermediate Similarity NPC247976
0.75 Intermediate Similarity NPC203486
0.75 Intermediate Similarity NPC100767
0.75 Intermediate Similarity NPC63737
0.7464 Intermediate Similarity NPC25736
0.7462 Intermediate Similarity NPC469843
0.7448 Intermediate Similarity NPC477275
0.7444 Intermediate Similarity NPC472981
0.7438 Intermediate Similarity NPC54647
0.7426 Intermediate Similarity NPC470765
0.7422 Intermediate Similarity NPC143768
0.7394 Intermediate Similarity NPC477596
0.7385 Intermediate Similarity NPC9274
0.7372 Intermediate Similarity NPC473220
0.7372 Intermediate Similarity NPC470753
0.7361 Intermediate Similarity NPC469680
0.7361 Intermediate Similarity NPC473440
0.7361 Intermediate Similarity NPC469681
0.7361 Intermediate Similarity NPC471974
0.7344 Intermediate Similarity NPC292834
0.7343 Intermediate Similarity NPC193358
0.7339 Intermediate Similarity NPC329282
0.7338 Intermediate Similarity NPC475138
0.7324 Intermediate Similarity NPC477594
0.7319 Intermediate Similarity NPC115797
0.7319 Intermediate Similarity NPC268607
0.7319 Intermediate Similarity NPC51448
0.731 Intermediate Similarity NPC294330
0.7302 Intermediate Similarity NPC112903
0.7292 Intermediate Similarity NPC118366
0.7287 Intermediate Similarity NPC477476
0.7287 Intermediate Similarity NPC477475
0.7286 Intermediate Similarity NPC72915
0.7279 Intermediate Similarity NPC328107
0.7279 Intermediate Similarity NPC477209
0.7273 Intermediate Similarity NPC222968
0.7273 Intermediate Similarity NPC323440
0.7273 Intermediate Similarity NPC80035
0.7273 Intermediate Similarity NPC94425
0.7273 Intermediate Similarity NPC80605
0.726 Intermediate Similarity NPC475135
0.7254 Intermediate Similarity NPC471911
0.7254 Intermediate Similarity NPC4242
0.7254 Intermediate Similarity NPC48929
0.7244 Intermediate Similarity NPC470252
0.7241 Intermediate Similarity NPC469857
0.7241 Intermediate Similarity NPC477849
0.7241 Intermediate Similarity NPC23667
0.7241 Intermediate Similarity NPC149773
0.7241 Intermediate Similarity NPC289358
0.7241 Intermediate Similarity NPC114333
0.7241 Intermediate Similarity NPC91887
0.7241 Intermediate Similarity NPC42384
0.7241 Intermediate Similarity NPC46242
0.7241 Intermediate Similarity NPC473479
0.7241 Intermediate Similarity NPC51531
0.7241 Intermediate Similarity NPC245760
0.7241 Intermediate Similarity NPC157284
0.7241 Intermediate Similarity NPC5014
0.7241 Intermediate Similarity NPC297797
0.7241 Intermediate Similarity NPC165191
0.7241 Intermediate Similarity NPC50615
0.7241 Intermediate Similarity NPC473779
0.7241 Intermediate Similarity NPC28592
0.7236 Intermediate Similarity NPC109514
0.7236 Intermediate Similarity NPC476993
0.7222 Intermediate Similarity NPC37914
0.7222 Intermediate Similarity NPC185763
0.7222 Intermediate Similarity NPC83409
0.7214 Intermediate Similarity NPC471832
0.72 Intermediate Similarity NPC477208
0.72 Intermediate Similarity NPC473403
0.7194 Intermediate Similarity NPC478162
0.7194 Intermediate Similarity NPC478165
0.719 Intermediate Similarity NPC219573
0.719 Intermediate Similarity NPC185208
0.7181 Intermediate Similarity NPC8493
0.7181 Intermediate Similarity NPC294679
0.7181 Intermediate Similarity NPC145301
0.7181 Intermediate Similarity NPC144247
0.7181 Intermediate Similarity NPC469375
0.7176 Intermediate Similarity NPC476357
0.7172 Intermediate Similarity NPC477592
0.7163 Intermediate Similarity NPC470278
0.7143 Intermediate Similarity NPC96421
0.7143 Intermediate Similarity NPC473527
0.7143 Intermediate Similarity NPC471186
0.7134 Intermediate Similarity NPC55744
0.7131 Intermediate Similarity NPC239185
0.7123 Intermediate Similarity NPC477593
0.7123 Intermediate Similarity NPC13715
0.7114 Intermediate Similarity NPC471162
0.7111 Intermediate Similarity NPC133302
0.7109 Intermediate Similarity NPC475006
0.7103 Intermediate Similarity NPC474311
0.7103 Intermediate Similarity NPC7464
0.7097 Intermediate Similarity NPC133809
0.7097 Intermediate Similarity NPC136810
0.7097 Intermediate Similarity NPC472879
0.7097 Intermediate Similarity NPC264728
0.7097 Intermediate Similarity NPC128248
0.7097 Intermediate Similarity NPC225079
0.7092 Intermediate Similarity NPC262819
0.709 Intermediate Similarity NPC318173
0.7086 Intermediate Similarity NPC143685
0.7083 Intermediate Similarity NPC59677
0.7083 Intermediate Similarity NPC23894
0.7083 Intermediate Similarity NPC474659
0.7078 Intermediate Similarity NPC477276
0.7077 Intermediate Similarity NPC186128
0.7077 Intermediate Similarity NPC471189
0.7073 Intermediate Similarity NPC134882
0.7071 Intermediate Similarity NPC69424
0.7071 Intermediate Similarity NPC176130
0.7071 Intermediate Similarity NPC78364
0.7071 Intermediate Similarity NPC84672
0.7068 Intermediate Similarity NPC158157
0.7067 Intermediate Similarity NPC469854
0.7067 Intermediate Similarity NPC469856
0.7067 Intermediate Similarity NPC475552
0.7055 Intermediate Similarity NPC36868
0.7047 Intermediate Similarity NPC469855
0.7047 Intermediate Similarity NPC30846
0.7047 Intermediate Similarity NPC471972
0.7047 Intermediate Similarity NPC471971
0.7045 Intermediate Similarity NPC186933
0.7042 Intermediate Similarity NPC108129
0.704 Intermediate Similarity NPC320891
0.7039 Intermediate Similarity NPC7095
0.7039 Intermediate Similarity NPC112216
0.7039 Intermediate Similarity NPC125033
0.7032 Intermediate Similarity NPC70344
0.7029 Intermediate Similarity NPC318067
0.7027 Intermediate Similarity NPC472236
0.7027 Intermediate Similarity NPC472235
0.7014 Intermediate Similarity NPC477139
0.7007 Intermediate Similarity NPC473622
0.7007 Intermediate Similarity NPC18785
0.7 Intermediate Similarity NPC478264
0.7 Intermediate Similarity NPC171007
0.7 Intermediate Similarity NPC190849

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC470648 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
0.8387 Intermediate Similarity NPD7610 Discontinued
0.8031 Intermediate Similarity NPD7009 Phase 2
0.7737 Intermediate Similarity NPD7961 Discontinued
0.771 Intermediate Similarity NPD7457 Clinical (unspecified phase)
0.7466 Intermediate Similarity NPD7236 Approved
0.7422 Intermediate Similarity NPD7094 Approved
0.7422 Intermediate Similarity NPD6858 Approved
0.7266 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD7239 Suspended
0.7131 Intermediate Similarity NPD3495 Discontinued
0.7045 Intermediate Similarity NPD5951 Approved
0.6984 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6984 Remote Similarity NPD1929 Approved
0.6984 Remote Similarity NPD1930 Approved
0.695 Remote Similarity NPD7084 Phase 3
0.6942 Remote Similarity NPD7631 Approved
0.6942 Remote Similarity NPD1508 Approved
0.6933 Remote Similarity NPD7799 Discontinued
0.6923 Remote Similarity NPD6766 Clinical (unspecified phase)
0.688 Remote Similarity NPD2066 Phase 3
0.6861 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6861 Remote Similarity NPD3019 Approved
0.686 Remote Similarity NPD7609 Phase 3
0.6812 Remote Similarity NPD4879 Approved
0.6792 Remote Similarity NPD7057 Phase 3
0.6792 Remote Similarity NPD7058 Phase 2
0.6783 Remote Similarity NPD7055 Discontinued
0.6774 Remote Similarity NPD1843 Approved
0.6772 Remote Similarity NPD1932 Approved
0.6759 Remote Similarity NPD6663 Approved
0.6748 Remote Similarity NPD5122 Clinical (unspecified phase)
0.6739 Remote Similarity NPD2932 Approved
0.6718 Remote Similarity NPD2329 Discontinued
0.6718 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6691 Remote Similarity NPD3026 Approved
0.6691 Remote Similarity NPD3023 Approved
0.6667 Remote Similarity NPD3025 Approved
0.6667 Remote Similarity NPD3024 Approved
0.6645 Remote Similarity NPD6273 Approved
0.6621 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6621 Remote Similarity NPD7008 Discontinued
0.662 Remote Similarity NPD6330 Clinical (unspecified phase)
0.6619 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6618 Remote Similarity NPD3317 Approved
0.6596 Remote Similarity NPD4878 Approved
0.6573 Remote Similarity NPD1470 Approved
0.656 Remote Similarity NPD1693 Approved
0.6529 Remote Similarity NPD650 Approved
0.6525 Remote Similarity NPD1201 Approved
0.6522 Remote Similarity NPD8438 Clinical (unspecified phase)
0.649 Remote Similarity NPD5408 Approved
0.649 Remote Similarity NPD5404 Approved
0.649 Remote Similarity NPD5405 Approved
0.649 Remote Similarity NPD5406 Approved
0.6483 Remote Similarity NPD5736 Approved
0.6471 Remote Similarity NPD7082 Approved
0.646 Remote Similarity NPD5760 Phase 2
0.646 Remote Similarity NPD5761 Phase 2
0.6444 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7259 Approved
0.6429 Remote Similarity NPD7003 Approved
0.6429 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6424 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6424 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6418 Remote Similarity NPD1317 Discontinued
0.6415 Remote Similarity NPD7458 Discontinued
0.6414 Remote Similarity NPD6007 Clinical (unspecified phase)
0.641 Remote Similarity NPD7390 Discontinued
0.64 Remote Similarity NPD1088 Approved
0.6389 Remote Similarity NPD1876 Approved
0.6387 Remote Similarity NPD7295 Approved
0.6383 Remote Similarity NPD4059 Approved
0.6357 Remote Similarity NPD5285 Approved
0.6357 Remote Similarity NPD5286 Approved
0.6357 Remote Similarity NPD4696 Approved
0.635 Remote Similarity NPD7077 Approved
0.635 Remote Similarity NPD7076 Approved
0.634 Remote Similarity NPD1471 Phase 3
0.6336 Remote Similarity NPD5765 Approved
0.6323 Remote Similarity NPD8166 Discontinued
0.632 Remote Similarity NPD6079 Approved
0.6316 Remote Similarity NPD6685 Approved
0.6311 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6308 Remote Similarity NPD5223 Approved
0.6306 Remote Similarity NPD8165 Discontinued
0.6299 Remote Similarity NPD5210 Approved
0.6299 Remote Similarity NPD688 Clinical (unspecified phase)
0.6299 Remote Similarity NPD4629 Approved
0.6273 Remote Similarity NPD7028 Phase 2
0.6268 Remote Similarity NPD3095 Discontinued
0.626 Remote Similarity NPD5225 Approved
0.626 Remote Similarity NPD5226 Approved
0.626 Remote Similarity NPD5211 Phase 2
0.626 Remote Similarity NPD5224 Approved
0.626 Remote Similarity NPD4633 Approved
0.625 Remote Similarity NPD3972 Approved
0.625 Remote Similarity NPD4223 Phase 3
0.625 Remote Similarity NPD4221 Approved
0.6242 Remote Similarity NPD3300 Phase 2
0.6241 Remote Similarity NPD7741 Discontinued
0.6241 Remote Similarity NPD3091 Approved
0.624 Remote Similarity NPD1090 Approved
0.624 Remote Similarity NPD1089 Approved
0.624 Remote Similarity NPD1086 Approved
0.623 Remote Similarity NPD5329 Approved
0.622 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6218 Remote Similarity NPD7487 Discontinued
0.6212 Remote Similarity NPD5175 Approved
0.6212 Remote Similarity NPD6647 Phase 2
0.6212 Remote Similarity NPD5174 Approved
0.6202 Remote Similarity NPD4755 Approved
0.62 Remote Similarity NPD8032 Phase 2
0.619 Remote Similarity NPD5281 Approved
0.619 Remote Similarity NPD2798 Approved
0.619 Remote Similarity NPD5284 Approved
0.6187 Remote Similarity NPD4766 Approved
0.6179 Remote Similarity NPD5690 Phase 2
0.6179 Remote Similarity NPD5280 Approved
0.6179 Remote Similarity NPD4694 Approved
0.6178 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6176 Remote Similarity NPD4634 Approved
0.6167 Remote Similarity NPD942 Approved
0.6165 Remote Similarity NPD1237 Approved
0.6165 Remote Similarity NPD5141 Approved
0.6165 Remote Similarity NPD5909 Discontinued
0.6164 Remote Similarity NPD7422 Clinical (unspecified phase)
0.616 Remote Similarity NPD5347 Phase 2
0.616 Remote Similarity NPD800 Approved
0.616 Remote Similarity NPD5328 Approved
0.616 Remote Similarity NPD5346 Phase 2
0.6159 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6154 Remote Similarity NPD2345 Approved
0.6154 Remote Similarity NPD4199 Phase 3
0.6149 Remote Similarity NPD8658 Clinical (unspecified phase)
0.6149 Remote Similarity NPD7962 Phase 2
0.6148 Remote Similarity NPD7320 Approved
0.6148 Remote Similarity NPD6899 Approved
0.6148 Remote Similarity NPD6881 Approved
0.6148 Remote Similarity NPD4197 Approved
0.6133 Remote Similarity NPD3764 Approved
0.6131 Remote Similarity NPD8130 Phase 1
0.6129 Remote Similarity NPD2346 Discontinued
0.6129 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6124 Remote Similarity NPD5221 Approved
0.6124 Remote Similarity NPD5222 Approved
0.6124 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6115 Remote Similarity NPD6010 Discontinued
0.6111 Remote Similarity NPD3226 Approved
0.6107 Remote Similarity NPD4700 Approved
0.6104 Remote Similarity NPD7305 Phase 1
0.6104 Remote Similarity NPD2799 Discontinued
0.6101 Remote Similarity NPD7478 Approved
0.6099 Remote Similarity NPD405 Clinical (unspecified phase)
0.6093 Remote Similarity NPD7714 Approved
0.6093 Remote Similarity NPD7715 Approved
0.6092 Remote Similarity NPD6764 Approved
0.6092 Remote Similarity NPD6765 Approved
0.609 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6087 Remote Similarity NPD8297 Approved
0.6081 Remote Similarity NPD6085 Phase 2
0.6081 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6081 Remote Similarity NPD4624 Approved
0.6078 Remote Similarity NPD6353 Approved
0.6077 Remote Similarity NPD1565 Approved
0.6077 Remote Similarity NPD1566 Phase 3
0.6077 Remote Similarity NPD1564 Approved
0.6077 Remote Similarity NPD5173 Approved
0.6074 Remote Similarity NPD5697 Approved
0.6069 Remote Similarity NPD3092 Approved
0.6063 Remote Similarity NPD1239 Approved
0.6062 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6061 Remote Similarity NPD7819 Suspended
0.6058 Remote Similarity NPD7290 Approved
0.6058 Remote Similarity NPD7102 Approved
0.6058 Remote Similarity NPD6883 Approved
0.6054 Remote Similarity NPD7736 Approved
0.6051 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6048 Remote Similarity NPD4693 Phase 3
0.6048 Remote Similarity NPD5205 Approved
0.6048 Remote Similarity NPD4689 Approved
0.6048 Remote Similarity NPD4138 Approved
0.6048 Remote Similarity NPD4688 Approved
0.6048 Remote Similarity NPD4690 Approved
0.6047 Remote Similarity NPD6049 Phase 2
0.6047 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6036 Remote Similarity NPD8127 Discontinued
0.6032 Remote Similarity NPD4753 Phase 2
0.6029 Remote Similarity NPD4729 Approved
0.6029 Remote Similarity NPD4730 Approved
0.6029 Remote Similarity NPD6011 Approved
0.6026 Remote Similarity NPD2344 Approved
0.6016 Remote Similarity NPD4202 Approved
0.6015 Remote Similarity NPD5091 Approved
0.6014 Remote Similarity NPD6847 Approved
0.6014 Remote Similarity NPD6649 Approved
0.6014 Remote Similarity NPD6617 Approved
0.6014 Remote Similarity NPD6650 Approved
0.6014 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6014 Remote Similarity NPD6054 Approved
0.6014 Remote Similarity NPD3094 Phase 2

Structure

External Identifiers

PubChem CID   71451126
ChEMBL   CHEMBL2147805
ZINC  

Physicochemical Properties

Molecular Weight:  500.29
ALogP:  2.5513
MLogP:  4.65
XLogP:  7.124
# Rotatable Bonds:  12
Polar Surface Area:  71.44
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  37

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Biological Activities  
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