Natural Product: NPC120724

Natural Product ID:  NPC120724
Common Name:   Jaborosalactone 1
IUPAC Name:  
Synonyms:   Jaborosalactone 1; Jaborosalactone1
Molecular Formula:   C28H32O6
Standard InCHIKey:  HUXPYRJEVUAXLN-YCEUDUMWSA-N
Standard InCHI:  InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1
Canonical SMILES:  O=C1O[C@@]2(C(=C1C)C)C(=O)C(=C1[C@]3([C@]2(O)C[C@H]2[C@H]([C@@H]3CC1)C[C@@H]1[C@]3([C@]2(C)C(=O)C=CC3)O1)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
NPO24742 Jaborosa runcinata Species Solanaceae Eukaryota PMID[12027740]
NPO7305 Jaborosa araucana Species Solanaceae Eukaryota UNPD*
NPO25590 Mitragyna tubulosa Species Rubiaceae Eukaryota UNPD*
NPO25325 Gentiana depressa Species Gentianaceae Eukaryota UNPD*
NPO888 Nigella arvensis Species Ranunculaceae Eukaryota UNPD*
NPO25186 Eryngium yuccifolium Species Apiaceae Eukaryota UNPD*
NPO24067 Aechmea weilbachii Species Bromeliaceae Eukaryota UNPD*
NPO25142 Lindenbergia indica Species Orobanchaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio = 28.9 12027740
NPT440 Individual Protein Quinone oxidoreductase Mus musculus CD = 0.28 nM 12027740
NPT2 Others Unspecified Ratio = 6.3 12027740
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 = 2500 nM 20438092
NPT2 Others Unspecified GI50 = 3300 nM 20438092
NPT83 Cell Line MCF7 Homo sapiens GI50 = 3200 nM 20438092
NPT396 Cell Line T47D Homo sapiens GI50 = 3400 nM 20438092
NPT134 Cell Line SK-BR-3 Homo sapiens GI50 = 2000 nM 20438092

  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 NPC120724 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
0.9076 High Similarity NPC8369
0.9068 High Similarity NPC170538
0.8992 High Similarity NPC469789
0.8992 High Similarity NPC11895
0.8926 High Similarity NPC287423
0.8917 High Similarity NPC172154
0.8917 High Similarity NPC81736
0.8843 High Similarity NPC293112
0.8843 High Similarity NPC473635
0.8824 High Similarity NPC67569
0.8814 High Similarity NPC475520
0.877 High Similarity NPC473253
0.875 High Similarity NPC23786
0.875 High Similarity NPC470265
0.8729 High Similarity NPC473720
0.8655 High Similarity NPC476960
0.8644 High Similarity NPC286528
0.8644 High Similarity NPC20302
0.8644 High Similarity NPC470492
0.8644 High Similarity NPC140055
0.8644 High Similarity NPC167606
0.8629 High Similarity NPC231529
0.8629 High Similarity NPC470880
0.8583 High Similarity NPC476961
0.8571 High Similarity NPC709
0.8571 High Similarity NPC50774
0.8559 High Similarity NPC190286
0.8559 High Similarity NPC270929
0.8548 High Similarity NPC473620
0.8525 High Similarity NPC204812
0.8525 High Similarity NPC473979
0.8512 High Similarity NPC46570
0.85 High Similarity NPC264954
0.85 High Similarity NPC42673
0.85 High Similarity NPC473203
0.8487 Intermediate Similarity NPC284068
0.8487 Intermediate Similarity NPC183580
0.8487 Intermediate Similarity NPC312824
0.8487 Intermediate Similarity NPC243065
0.8487 Intermediate Similarity NPC470493
0.848 Intermediate Similarity NPC473593
0.848 Intermediate Similarity NPC35109
0.8475 Intermediate Similarity NPC474181
0.8468 Intermediate Similarity NPC473265
0.8468 Intermediate Similarity NPC470882
0.8462 Intermediate Similarity NPC269530
0.8455 Intermediate Similarity NPC24651
0.8455 Intermediate Similarity NPC32868
0.8455 Intermediate Similarity NPC241456
0.8455 Intermediate Similarity NPC470922
0.8455 Intermediate Similarity NPC8374
0.8443 Intermediate Similarity NPC269642
0.8443 Intermediate Similarity NPC107493
0.843 Intermediate Similarity NPC474585
0.843 Intermediate Similarity NPC474370
0.8425 Intermediate Similarity NPC58029
0.8417 Intermediate Similarity NPC329736
0.8417 Intermediate Similarity NPC153440
0.8417 Intermediate Similarity NPC186525
0.8413 Intermediate Similarity NPC220757
0.8413 Intermediate Similarity NPC196921
0.8403 Intermediate Similarity NPC270478
0.8403 Intermediate Similarity NPC176840
0.839 Intermediate Similarity NPC122056
0.839 Intermediate Similarity NPC159333
0.839 Intermediate Similarity NPC472926
0.8387 Intermediate Similarity NPC15095
0.8376 Intermediate Similarity NPC317107
0.8374 Intermediate Similarity NPC67251
0.8374 Intermediate Similarity NPC265557
0.8374 Intermediate Similarity NPC105926
0.8374 Intermediate Similarity NPC91693
0.8374 Intermediate Similarity NPC18945
0.8347 Intermediate Similarity NPC475041
0.8347 Intermediate Similarity NPC61520
0.8347 Intermediate Similarity NPC472933
0.8347 Intermediate Similarity NPC5292
0.8346 Intermediate Similarity NPC34963
0.8333 Intermediate Similarity NPC472927
0.8333 Intermediate Similarity NPC470959
0.8333 Intermediate Similarity NPC476965
0.8333 Intermediate Similarity NPC239273
0.832 Intermediate Similarity NPC42399
0.8319 Intermediate Similarity NPC67259
0.8319 Intermediate Similarity NPC470953
0.8319 Intermediate Similarity NPC147912
0.8306 Intermediate Similarity NPC476729
0.8306 Intermediate Similarity NPC473255
0.8305 Intermediate Similarity NPC317687
0.8305 Intermediate Similarity NPC236217
0.8293 Intermediate Similarity NPC153700
0.8293 Intermediate Similarity NPC312833
0.8293 Intermediate Similarity NPC88326
0.8291 Intermediate Similarity NPC473627
0.8291 Intermediate Similarity NPC37116
0.8281 Intermediate Similarity NPC469673
0.8279 Intermediate Similarity NPC154491
0.8279 Intermediate Similarity NPC107338
0.8279 Intermediate Similarity NPC79579
0.8279 Intermediate Similarity NPC251226
0.8279 Intermediate Similarity NPC109607
0.8279 Intermediate Similarity NPC476962
0.8279 Intermediate Similarity NPC268530
0.8268 Intermediate Similarity NPC476852
0.8268 Intermediate Similarity NPC279478
0.8268 Intermediate Similarity NPC241935
0.8264 Intermediate Similarity NPC240509
0.8264 Intermediate Similarity NPC311554
0.8264 Intermediate Similarity NPC470420
0.8264 Intermediate Similarity NPC257457
0.8254 Intermediate Similarity NPC476859
0.8254 Intermediate Similarity NPC311534
0.824 Intermediate Similarity NPC181999
0.8235 Intermediate Similarity NPC477126
0.822 Intermediate Similarity NPC324683
0.822 Intermediate Similarity NPC470960
0.822 Intermediate Similarity NPC474229
0.8217 Intermediate Similarity NPC476823
0.8217 Intermediate Similarity NPC471234
0.8211 Intermediate Similarity NPC470779
0.8211 Intermediate Similarity NPC159456
0.8211 Intermediate Similarity NPC4021
0.8205 Intermediate Similarity NPC474242
0.8205 Intermediate Similarity NPC87335
0.8203 Intermediate Similarity NPC231240
0.8203 Intermediate Similarity NPC476193
0.8203 Intermediate Similarity NPC471855
0.8197 Intermediate Similarity NPC305260
0.8197 Intermediate Similarity NPC270850
0.8197 Intermediate Similarity NPC473274
0.8197 Intermediate Similarity NPC476529
0.8197 Intermediate Similarity NPC475775
0.8197 Intermediate Similarity NPC77689
0.8197 Intermediate Similarity NPC473636
0.8197 Intermediate Similarity NPC230513
0.819 Intermediate Similarity NPC472925
0.819 Intermediate Similarity NPC475294
0.8189 Intermediate Similarity NPC476851
0.8182 Intermediate Similarity NPC469684
0.8182 Intermediate Similarity NPC134430
0.8182 Intermediate Similarity NPC473590
0.8175 Intermediate Similarity NPC476008
0.8167 Intermediate Similarity NPC284915
0.8167 Intermediate Similarity NPC238667
0.816 Intermediate Similarity NPC3381
0.816 Intermediate Similarity NPC470494
0.8158 Intermediate Similarity NPC80781
0.8154 Intermediate Similarity NPC171619
0.8151 Intermediate Similarity NPC470063
0.8151 Intermediate Similarity NPC476801
0.8151 Intermediate Similarity NPC264634
0.8151 Intermediate Similarity NPC147180
0.8151 Intermediate Similarity NPC277769
0.8145 Intermediate Similarity NPC470419
0.8142 Intermediate Similarity NPC471413
0.814 Intermediate Similarity NPC316915
0.814 Intermediate Similarity NPC168879
0.814 Intermediate Similarity NPC469674
0.8136 Intermediate Similarity NPC5103
0.8136 Intermediate Similarity NPC253906
0.8125 Intermediate Similarity NPC476855
0.8125 Intermediate Similarity NPC476862
0.8125 Intermediate Similarity NPC476863
0.812 Intermediate Similarity NPC25887
0.812 Intermediate Similarity NPC473482
0.812 Intermediate Similarity NPC318363
0.812 Intermediate Similarity NPC275539
0.812 Intermediate Similarity NPC322903
0.812 Intermediate Similarity NPC475418
0.812 Intermediate Similarity NPC189075
0.8115 Intermediate Similarity NPC17772
0.8115 Intermediate Similarity NPC284707
0.8115 Intermediate Similarity NPC297179
0.8115 Intermediate Similarity NPC251310
0.8115 Intermediate Similarity NPC118638
0.811 Intermediate Similarity NPC245094
0.8103 Intermediate Similarity NPC96377
0.8099 Intermediate Similarity NPC64318
0.8099 Intermediate Similarity NPC196931
0.8099 Intermediate Similarity NPC476963
0.8099 Intermediate Similarity NPC148458
0.8099 Intermediate Similarity NPC328374
0.8099 Intermediate Similarity NPC270958
0.8099 Intermediate Similarity NPC207217
0.8099 Intermediate Similarity NPC251236
0.8099 Intermediate Similarity NPC96312
0.8099 Intermediate Similarity NPC40632
0.8095 Intermediate Similarity NPC477745
0.8095 Intermediate Similarity NPC225049
0.8083 Intermediate Similarity NPC469454
0.8083 Intermediate Similarity NPC469463
0.8083 Intermediate Similarity NPC25909
0.8083 Intermediate Similarity NPC471204
0.8083 Intermediate Similarity NPC469496
0.8083 Intermediate Similarity NPC33360
0.807 Intermediate Similarity NPC471412
0.8067 Intermediate Similarity NPC179798
0.8067 Intermediate Similarity NPC304180
0.8067 Intermediate Similarity NPC472928
0.8065 Intermediate Similarity NPC102822

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC120724 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
0.8644 High Similarity NPD7115 Discovery
0.813 Intermediate Similarity NPD6319 Approved
0.8016 Intermediate Similarity NPD7492 Approved
0.7984 Intermediate Similarity NPD6054 Approved
0.7969 Intermediate Similarity NPD7736 Approved
0.7953 Intermediate Similarity NPD6616 Approved
0.7934 Intermediate Similarity NPD4632 Approved
0.7891 Intermediate Similarity NPD7078 Approved
0.7857 Intermediate Similarity NPD6370 Approved
0.7851 Intermediate Similarity NPD8297 Approved
0.7815 Intermediate Similarity NPD6881 Approved
0.7815 Intermediate Similarity NPD6899 Approved
0.7797 Intermediate Similarity NPD6008 Approved
0.7795 Intermediate Similarity NPD7604 Phase 2
0.7778 Intermediate Similarity NPD6015 Approved
0.7778 Intermediate Similarity NPD6016 Approved
0.7769 Intermediate Similarity NPD7319 Approved
0.7769 Intermediate Similarity NPD6649 Approved
0.7769 Intermediate Similarity NPD6650 Approved
0.7742 Intermediate Similarity NPD6009 Approved
0.7731 Intermediate Similarity NPD5697 Approved
0.7717 Intermediate Similarity NPD5988 Approved
0.7698 Intermediate Similarity NPD6059 Approved
0.7686 Intermediate Similarity NPD6883 Approved
0.7686 Intermediate Similarity NPD7102 Approved
0.7686 Intermediate Similarity NPD7290 Approved
0.7674 Intermediate Similarity NPD7507 Approved
0.7667 Intermediate Similarity NPD7320 Approved
0.7667 Intermediate Similarity NPD5345 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD6011 Approved
0.7647 Intermediate Similarity NPD6675 Approved
0.7647 Intermediate Similarity NPD5739 Approved
0.7647 Intermediate Similarity NPD6402 Approved
0.7647 Intermediate Similarity NPD7128 Approved
0.7638 Intermediate Similarity NPD5983 Phase 2
0.7623 Intermediate Similarity NPD6617 Approved
0.7623 Intermediate Similarity NPD6869 Approved
0.7623 Intermediate Similarity NPD6847 Approved
0.7623 Intermediate Similarity NPD8130 Phase 1
0.7615 Intermediate Similarity NPD8293 Discontinued
0.7603 Intermediate Similarity NPD4061 Clinical (unspecified phase)
0.7603 Intermediate Similarity NPD6013 Approved
0.7603 Intermediate Similarity NPD6012 Approved
0.7603 Intermediate Similarity NPD6372 Approved
0.7603 Intermediate Similarity NPD6014 Approved
0.7603 Intermediate Similarity NPD6373 Approved
0.7586 Intermediate Similarity NPD7638 Approved
0.7561 Intermediate Similarity NPD6882 Approved
0.7541 Intermediate Similarity NPD5955 Clinical (unspecified phase)
0.7541 Intermediate Similarity NPD4634 Approved
0.7538 Intermediate Similarity NPD6336 Discontinued
0.7521 Intermediate Similarity NPD7640 Approved
0.7521 Intermediate Similarity NPD7639 Approved
0.7519 Intermediate Similarity NPD8328 Phase 3
0.7438 Intermediate Similarity NPD5701 Approved
0.7436 Intermediate Similarity NPD4225 Approved
0.7388 Intermediate Similarity NPD7260 Phase 2
0.7339 Intermediate Similarity NPD6401 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD5954 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD6033 Approved
0.7266 Intermediate Similarity NPD6335 Approved
0.7265 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD5222 Approved
0.7265 Intermediate Similarity NPD5221 Approved
0.725 Intermediate Similarity NPD5211 Phase 2
0.7244 Intermediate Similarity NPD6868 Approved
0.7236 Intermediate Similarity NPD6686 Approved
0.7227 Intermediate Similarity NPD5286 Approved
0.7227 Intermediate Similarity NPD4696 Approved
0.7227 Intermediate Similarity NPD5285 Approved
0.7217 Intermediate Similarity NPD6079 Approved
0.7209 Intermediate Similarity NPD7100 Approved
0.7209 Intermediate Similarity NPD7101 Approved
0.7203 Intermediate Similarity NPD6084 Phase 2
0.7203 Intermediate Similarity NPD5173 Approved
0.7203 Intermediate Similarity NPD6083 Phase 2
0.7188 Intermediate Similarity NPD6317 Approved
0.7188 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD5695 Phase 3
0.7167 Intermediate Similarity NPD5223 Approved
0.7155 Intermediate Similarity NPD6399 Phase 3
0.7154 Intermediate Similarity NPD7899 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD5696 Approved
0.7132 Intermediate Similarity NPD7327 Approved
0.7132 Intermediate Similarity NPD6314 Approved
0.7132 Intermediate Similarity NPD6313 Approved
0.7132 Intermediate Similarity NPD7328 Approved
0.7131 Intermediate Similarity NPD5141 Approved
0.7119 Intermediate Similarity NPD4697 Phase 3
0.7109 Intermediate Similarity NPD6274 Approved
0.7107 Intermediate Similarity NPD5224 Approved
0.7107 Intermediate Similarity NPD5225 Approved
0.7107 Intermediate Similarity NPD5226 Approved
0.7107 Intermediate Similarity NPD4633 Approved
0.7105 Intermediate Similarity NPD5737 Approved
0.7105 Intermediate Similarity NPD6672 Approved
0.7099 Intermediate Similarity NPD8033 Approved
0.7099 Intermediate Similarity NPD6291 Clinical (unspecified phase)
0.7094 Intermediate Similarity NPD7748 Approved
0.708 Intermediate Similarity NPD6845 Suspended
0.7077 Intermediate Similarity NPD7516 Approved
0.7069 Intermediate Similarity NPD5693 Phase 1
0.7059 Intermediate Similarity NPD7902 Approved
0.7059 Intermediate Similarity NPD4755 Approved
0.7049 Intermediate Similarity NPD5175 Approved
0.7049 Intermediate Similarity NPD5174 Approved
0.7043 Intermediate Similarity NPD5328 Approved
0.7034 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7023 Intermediate Similarity NPD8294 Approved
0.7023 Intermediate Similarity NPD8377 Approved
0.7018 Intermediate Similarity NPD3573 Approved
0.7016 Intermediate Similarity NPD6412 Phase 2
0.7008 Intermediate Similarity NPD6053 Discontinued
0.6984 Remote Similarity NPD6371 Approved
0.697 Remote Similarity NPD8515 Approved
0.697 Remote Similarity NPD8380 Approved
0.697 Remote Similarity NPD8513 Phase 3
0.697 Remote Similarity NPD8335 Approved
0.697 Remote Similarity NPD8516 Approved
0.697 Remote Similarity NPD8296 Approved
0.697 Remote Similarity NPD6921 Approved
0.697 Remote Similarity NPD8378 Approved
0.697 Remote Similarity NPD8517 Approved
0.697 Remote Similarity NPD7503 Approved
0.697 Remote Similarity NPD8379 Approved
0.6967 Remote Similarity NPD7632 Discontinued
0.695 Remote Similarity NPD6334 Approved
0.695 Remote Similarity NPD6333 Approved
0.6942 Remote Similarity NPD4700 Approved
0.693 Remote Similarity NPD3574 Clinical (unspecified phase)
0.693 Remote Similarity NPD3618 Phase 1
0.6923 Remote Similarity NPD7515 Phase 2
0.6897 Remote Similarity NPD6080 Approved
0.6897 Remote Similarity NPD6673 Approved
0.6897 Remote Similarity NPD6904 Approved
0.6885 Remote Similarity NPD5344 Discontinued
0.6864 Remote Similarity NPD5779 Approved
0.6864 Remote Similarity NPD5778 Approved
0.6842 Remote Similarity NPD6909 Approved
0.6842 Remote Similarity NPD1694 Approved
0.6842 Remote Similarity NPD6908 Approved
0.6838 Remote Similarity NPD5785 Approved
0.6825 Remote Similarity NPD4729 Approved
0.6825 Remote Similarity NPD4730 Approved
0.681 Remote Similarity NPD6903 Approved
0.681 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6807 Remote Similarity NPD7900 Approved
0.6807 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6783 Remote Similarity NPD6684 Approved
0.6783 Remote Similarity NPD6409 Approved
0.6783 Remote Similarity NPD5330 Approved
0.6783 Remote Similarity NPD7334 Approved
0.6783 Remote Similarity NPD7521 Approved
0.6783 Remote Similarity NPD7146 Approved
0.678 Remote Similarity NPD5694 Approved
0.678 Remote Similarity NPD6411 Approved
0.678 Remote Similarity NPD6050 Approved
0.6774 Remote Similarity NPD4754 Approved
0.6772 Remote Similarity NPD8132 Clinical (unspecified phase)
0.675 Remote Similarity NPD1698 Clinical (unspecified phase)
0.675 Remote Similarity NPD5210 Approved
0.675 Remote Similarity NPD4629 Approved
0.6726 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5169 Approved
0.6719 Remote Similarity NPD5248 Approved
0.6719 Remote Similarity NPD5247 Approved
0.6719 Remote Similarity NPD5135 Approved
0.6719 Remote Similarity NPD5251 Approved
0.6719 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6719 Remote Similarity NPD5250 Approved
0.6719 Remote Similarity NPD5249 Phase 3
0.6695 Remote Similarity NPD46 Approved
0.6695 Remote Similarity NPD6698 Approved
0.6695 Remote Similarity NPD5692 Phase 3
0.6693 Remote Similarity NPD5168 Approved
0.6693 Remote Similarity NPD5128 Approved
0.6691 Remote Similarity NPD5956 Approved
0.6667 Remote Similarity NPD4767 Approved
0.6667 Remote Similarity NPD6648 Approved
0.6667 Remote Similarity NPD5215 Approved
0.6667 Remote Similarity NPD5127 Approved
0.6667 Remote Similarity NPD5216 Approved
0.6667 Remote Similarity NPD5282 Discontinued
0.6667 Remote Similarity NPD6001 Approved
0.6667 Remote Similarity NPD4768 Approved
0.6667 Remote Similarity NPD5217 Approved
0.6639 Remote Similarity NPD8035 Phase 2
0.6639 Remote Similarity NPD5284 Approved
0.6639 Remote Similarity NPD5281 Approved
0.6639 Remote Similarity NPD8034 Phase 2
0.6638 Remote Similarity NPD5690 Phase 2
0.6638 Remote Similarity NPD6098 Approved
0.661 Remote Similarity NPD5764 Clinical (unspecified phase)
0.661 Remote Similarity NPD4753 Phase 2
0.661 Remote Similarity NPD7285 Clinical (unspecified phase)
0.661 Remote Similarity NPD6101 Approved
0.6609 Remote Similarity NPD4786 Approved
0.66 Remote Similarity NPD7236 Approved
0.6594 Remote Similarity NPD8074 Phase 3
0.6583 Remote Similarity NPD4202 Approved

Structure

External Identifiers

PubChem CID   10528114
ChEMBL   CHEMBL463045
ZINC  

Physicochemical Properties

Molecular Weight:  464.22
ALogP:  1.1702
MLogP:  3.88
XLogP:  0.748
# Rotatable Bonds:  6
Polar Surface Area:  93.2
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  7
# Heavy Atoms:  34

Download Data

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Biological Activities  
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