Natural Product: NPC477248

Natural Product ID:  NPC477248
Common Name:   2-hydroxy-1-(2-hydroxyethyl)-2,4-dimethyl-5-[(5Z,7E,9E,11E)-2,4,14-trihydroxy-9,13,15-trimethyl-17-phenylheptadeca-5,7,9,11-tetraenyl]pyrrol-3-one
IUPAC Name:   2-hydroxy-1-(2-hydroxyethyl)-2,4-dimethyl-5-[(5Z,7E,9E,11E)-2,4,14-trihydroxy-9,13,15-trimethyl-17-phenylheptadeca-5,7,9,11-tetraenyl]pyrrol-3-one
Synonyms:  
Molecular Formula:   C34H49NO6
Standard InCHIKey:  FFUGEMHREAXPTP-AYKAIXJZSA-N
Standard InCHI:  InChI=1S/C34H49NO6/c1-24(13-11-14-25(2)32(39)26(3)18-19-28-15-7-6-8-16-28)12-9-10-17-29(37)22-30(38)23-31-27(4)33(40)34(5,41)35(31)20-21-36/h6-17,25-26,29-30,32,36-39,41H,18-23H2,1-5H3/b12-9+,14-11+,17-10-,24-13+
Canonical SMILES:  OCCN1C(=C(C(=O)C1(C)O)C)CC(CC(/C=CC=CC(=CC=CC(C(C(CCc1ccccc1)C)O)C)C)O)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
NPO33535 Hyalangium minutum Species Archangiaceae Bacteria PMID[24848583]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT729 Organism Micrococcus luteus Micrococcus luteus MIC <= 67 ug/ml 24848583
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC <= 67 ug/ml 24848583
NPT19 Organism Escherichia coli Escherichia coli MIC <= 67 ug/ml 24848583
NPT5748 Organism Nocardia canis Nocardia canis MIC <= 67 ug/ml 24848583
NPT2631 Organism Chromobacterium violaceum Chromobacterium violaceum MIC <= 67 ug/ml 24848583
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC <= 67 ug/ml 24848583
NPT1177 Organism Mycobacterium phlei Mycobacterium phlei MIC <= 67 ug/ml 24848583
NPT3481 Organism Mucor hiemalis Mucor hiemalis MIC <= 67 ug/ml 24848583
NPT765 Organism Schizosaccharomyces pombe Schizosaccharomyces pombe MIC <= 67 ug/ml 24848583
NPT3628 Organism Rhodotorula glutinis Rhodotorula glutinis MIC <= 67 ug/ml 24848583
NPT772 Organism Pichia anomala Wickerhamomyces anomalus MIC <= 67 ug/ml 24848583
NPT20 Organism Candida albicans Candida albicans MIC <= 67 ug/ml 24848583

  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 NPC477248 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
1.0 High Similarity NPC477249
0.7357 Intermediate Similarity NPC475598
0.7357 Intermediate Similarity NPC474811
0.7357 Intermediate Similarity NPC79465
0.7357 Intermediate Similarity NPC273907
0.7357 Intermediate Similarity NPC151706
0.7357 Intermediate Similarity NPC260045
0.7357 Intermediate Similarity NPC293377
0.7357 Intermediate Similarity NPC474855
0.7357 Intermediate Similarity NPC474787
0.7357 Intermediate Similarity NPC118099
0.7357 Intermediate Similarity NPC476102
0.7357 Intermediate Similarity NPC475318
0.7357 Intermediate Similarity NPC49577
0.7357 Intermediate Similarity NPC9687
0.7357 Intermediate Similarity NPC90194
0.7357 Intermediate Similarity NPC76785
0.7313 Intermediate Similarity NPC472415
0.7313 Intermediate Similarity NPC46427
0.7299 Intermediate Similarity NPC71271
0.7286 Intermediate Similarity NPC228511
0.7266 Intermediate Similarity NPC477246
0.7266 Intermediate Similarity NPC477245
0.7266 Intermediate Similarity NPC42423
0.7244 Intermediate Similarity NPC477247
0.7239 Intermediate Similarity NPC252878
0.7234 Intermediate Similarity NPC279045
0.7234 Intermediate Similarity NPC113325
0.7213 Intermediate Similarity NPC214200
0.7213 Intermediate Similarity NPC228400
0.7206 Intermediate Similarity NPC472414
0.7165 Intermediate Similarity NPC292758
0.7165 Intermediate Similarity NPC65855
0.7164 Intermediate Similarity NPC202521
0.7132 Intermediate Similarity NPC285394
0.7101 Intermediate Similarity NPC319766
0.709 Intermediate Similarity NPC476990
0.709 Intermediate Similarity NPC190663
0.708 Intermediate Similarity NPC472165
0.7071 Intermediate Similarity NPC183722
0.7063 Intermediate Similarity NPC175870
0.7059 Intermediate Similarity NPC6975
0.705 Intermediate Similarity NPC472413
0.7 Intermediate Similarity NPC7817
0.7 Intermediate Similarity NPC475168
0.6985 Remote Similarity NPC160493
0.698 Remote Similarity NPC246412
0.6972 Remote Similarity NPC287401
0.697 Remote Similarity NPC188010
0.695 Remote Similarity NPC130309
0.6944 Remote Similarity NPC471264
0.6944 Remote Similarity NPC471265
0.6944 Remote Similarity NPC208725
0.6929 Remote Similarity NPC116057
0.6923 Remote Similarity NPC477250
0.6918 Remote Similarity NPC239770
0.6906 Remote Similarity NPC65310
0.6906 Remote Similarity NPC278097
0.6901 Remote Similarity NPC246079
0.6892 Remote Similarity NPC5620
0.6879 Remote Similarity NPC69496
0.6863 Remote Similarity NPC470902
0.6861 Remote Similarity NPC291027
0.6861 Remote Similarity NPC213126
0.6861 Remote Similarity NPC317474
0.6861 Remote Similarity NPC84281
0.6861 Remote Similarity NPC169485
0.6849 Remote Similarity NPC322526
0.6849 Remote Similarity NPC471201
0.6846 Remote Similarity NPC49565
0.6829 Remote Similarity NPC472788
0.6809 Remote Similarity NPC165726
0.6809 Remote Similarity NPC213969
0.6806 Remote Similarity NPC477680
0.6806 Remote Similarity NPC248283
0.6803 Remote Similarity NPC269398
0.6803 Remote Similarity NPC150712
0.6803 Remote Similarity NPC263493
0.68 Remote Similarity NPC135121
0.6797 Remote Similarity NPC477251
0.6781 Remote Similarity NPC473052
0.6781 Remote Similarity NPC470884
0.6781 Remote Similarity NPC473055
0.6781 Remote Similarity NPC178662
0.6781 Remote Similarity NPC98424
0.6781 Remote Similarity NPC476133
0.6781 Remote Similarity NPC92784
0.6779 Remote Similarity NPC209509
0.6772 Remote Similarity NPC304761
0.6772 Remote Similarity NPC194390
0.6772 Remote Similarity NPC147000
0.6772 Remote Similarity NPC150254
0.6772 Remote Similarity NPC224610
0.6772 Remote Similarity NPC88267
0.6772 Remote Similarity NPC113326
0.6772 Remote Similarity NPC226778
0.6757 Remote Similarity NPC108852
0.6757 Remote Similarity NPC251439
0.6757 Remote Similarity NPC111586
0.6757 Remote Similarity NPC261709
0.6757 Remote Similarity NPC57976
0.6746 Remote Similarity NPC327226
0.6736 Remote Similarity NPC328070
0.6736 Remote Similarity NPC245836
0.6736 Remote Similarity NPC233910
0.6736 Remote Similarity NPC313663
0.6735 Remote Similarity NPC239762
0.6735 Remote Similarity NPC163392
0.6733 Remote Similarity NPC314358
0.6732 Remote Similarity NPC162104
0.6718 Remote Similarity NPC323007
0.6715 Remote Similarity NPC80150
0.6714 Remote Similarity NPC171372
0.6714 Remote Similarity NPC474847
0.6712 Remote Similarity NPC109580
0.6711 Remote Similarity NPC476978
0.6711 Remote Similarity NPC129666
0.6691 Remote Similarity NPC310467
0.669 Remote Similarity NPC103605
0.669 Remote Similarity NPC90693
0.669 Remote Similarity NPC64897
0.669 Remote Similarity NPC81092
0.669 Remote Similarity NPC295478
0.669 Remote Similarity NPC469666
0.6689 Remote Similarity NPC329761
0.6689 Remote Similarity NPC225648
0.6688 Remote Similarity NPC262166
0.6667 Remote Similarity NPC315266
0.6667 Remote Similarity NPC313867
0.6667 Remote Similarity NPC239357
0.6667 Remote Similarity NPC477217
0.6667 Remote Similarity NPC473491
0.6667 Remote Similarity NPC471447
0.6667 Remote Similarity NPC201244
0.6667 Remote Similarity NPC316008
0.6644 Remote Similarity NPC139326
0.6643 Remote Similarity NPC307020
0.6643 Remote Similarity NPC22746
0.6642 Remote Similarity NPC472164
0.6624 Remote Similarity NPC297145
0.6624 Remote Similarity NPC197743
0.6623 Remote Similarity NPC262216
0.6622 Remote Similarity NPC476259
0.662 Remote Similarity NPC239990
0.662 Remote Similarity NPC89923
0.662 Remote Similarity NPC105114
0.662 Remote Similarity NPC152850
0.662 Remote Similarity NPC71933
0.6618 Remote Similarity NPC169328
0.6601 Remote Similarity NPC2501
0.6601 Remote Similarity NPC146097
0.6601 Remote Similarity NPC227905
0.6601 Remote Similarity NPC339338
0.66 Remote Similarity NPC315283
0.66 Remote Similarity NPC314388
0.6599 Remote Similarity NPC68865
0.6596 Remote Similarity NPC47667
0.6594 Remote Similarity NPC200964
0.6594 Remote Similarity NPC478014
0.6594 Remote Similarity NPC45777
0.6594 Remote Similarity NPC478015
0.6594 Remote Similarity NPC477061
0.6594 Remote Similarity NPC478016
0.6582 Remote Similarity NPC469898
0.6581 Remote Similarity NPC473341
0.6579 Remote Similarity NPC145113
0.6579 Remote Similarity NPC237240
0.6579 Remote Similarity NPC31171
0.6569 Remote Similarity NPC314992
0.6569 Remote Similarity NPC470546
0.6565 Remote Similarity NPC114741
0.6565 Remote Similarity NPC182549
0.6554 Remote Similarity NPC281104
0.6549 Remote Similarity NPC136453
0.6549 Remote Similarity NPC119326
0.6544 Remote Similarity NPC2265
0.6544 Remote Similarity NPC470544
0.6541 Remote Similarity NPC114806
0.6538 Remote Similarity NPC68967
0.6536 Remote Similarity NPC240848
0.6533 Remote Similarity NPC161069
0.6532 Remote Similarity NPC58674
0.6525 Remote Similarity NPC222466
0.6516 Remote Similarity NPC185404
0.651 Remote Similarity NPC153007
0.6508 Remote Similarity NPC108606
0.6508 Remote Similarity NPC329387
0.6508 Remote Similarity NPC290515
0.6508 Remote Similarity NPC317280
0.6508 Remote Similarity NPC226096
0.6508 Remote Similarity NPC322598
0.6508 Remote Similarity NPC303611
0.6508 Remote Similarity NPC164514
0.6497 Remote Similarity NPC476268
0.6497 Remote Similarity NPC244509
0.6496 Remote Similarity NPC470545
0.6496 Remote Similarity NPC137096
0.6494 Remote Similarity NPC2672
0.6493 Remote Similarity NPC273814
0.6486 Remote Similarity NPC127741

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477248 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
0.7295 Intermediate Similarity NPD854 Approved
0.7295 Intermediate Similarity NPD855 Approved
0.7132 Intermediate Similarity NPD5158 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD5159 Phase 2
0.7132 Intermediate Similarity NPD5157 Phase 1
0.7016 Intermediate Similarity NPD4818 Approved
0.7016 Intermediate Similarity NPD4817 Approved
0.698 Remote Similarity NPD6609 Clinical (unspecified phase)
0.6944 Remote Similarity NPD8172 Phase 2
0.6944 Remote Similarity NPD8173 Phase 2
0.6929 Remote Similarity NPD3661 Approved
0.6929 Remote Similarity NPD3662 Phase 3
0.6929 Remote Similarity NPD3664 Approved
0.6929 Remote Similarity NPD3663 Approved
0.6906 Remote Similarity NPD2159 Approved
0.6906 Remote Similarity NPD2627 Approved
0.6906 Remote Similarity NPD2625 Approved
0.6906 Remote Similarity NPD2628 Approved
0.6906 Remote Similarity NPD2626 Approved
0.6906 Remote Similarity NPD2160 Approved
0.6901 Remote Similarity NPD4621 Approved
0.6901 Remote Similarity NPD4619 Approved
0.6879 Remote Similarity NPD2613 Approved
0.6875 Remote Similarity NPD4095 Clinical (unspecified phase)
0.6866 Remote Similarity NPD7522 Discontinued
0.6861 Remote Similarity NPD4215 Approved
0.6861 Remote Similarity NPD4216 Approved
0.6861 Remote Similarity NPD4218 Approved
0.6861 Remote Similarity NPD4217 Approved
0.6861 Remote Similarity NPD2610 Approved
0.6861 Remote Similarity NPD2608 Approved
0.6861 Remote Similarity NPD3132 Approved
0.6861 Remote Similarity NPD2609 Approved
0.6861 Remote Similarity NPD2612 Approved
0.6861 Remote Similarity NPD2611 Approved
0.6861 Remote Similarity NPD3131 Approved
0.6846 Remote Similarity NPD6676 Phase 2
0.6846 Remote Similarity NPD7488 Clinical (unspecified phase)
0.6838 Remote Similarity NPD7725 Approved
0.6825 Remote Similarity NPD3682 Approved
0.6825 Remote Similarity NPD3681 Approved
0.6825 Remote Similarity NPD3683 Approved
0.6825 Remote Similarity NPD3680 Approved
0.6809 Remote Similarity NPD5204 Approved
0.6806 Remote Similarity NPD8265 Approved
0.6791 Remote Similarity NPD6775 Clinical (unspecified phase)
0.6772 Remote Similarity NPD314 Approved
0.6772 Remote Similarity NPD310 Approved
0.6772 Remote Similarity NPD311 Approved
0.6772 Remote Similarity NPD10 Approved
0.6772 Remote Similarity NPD315 Approved
0.6772 Remote Similarity NPD309 Approved
0.6759 Remote Similarity NPD7113 Clinical (unspecified phase)
0.6746 Remote Similarity NPD4719 Phase 2
0.6744 Remote Similarity NPD6406 Approved
0.6739 Remote Similarity NPD4807 Approved
0.6739 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6739 Remote Similarity NPD4806 Approved
0.6739 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6736 Remote Similarity NPD2572 Clinical (unspecified phase)
0.6736 Remote Similarity NPD2566 Approved
0.6736 Remote Similarity NPD3616 Approved
0.6736 Remote Similarity NPD3090 Approved
0.6736 Remote Similarity NPD7715 Approved
0.6736 Remote Similarity NPD3614 Approved
0.6736 Remote Similarity NPD3087 Approved
0.6736 Remote Similarity NPD2571 Approved
0.6736 Remote Similarity NPD2570 Approved
0.6736 Remote Similarity NPD3088 Approved
0.6736 Remote Similarity NPD4746 Phase 3
0.6736 Remote Similarity NPD7714 Approved
0.6736 Remote Similarity NPD2573 Approved
0.6736 Remote Similarity NPD2574 Discontinued
0.6736 Remote Similarity NPD3615 Approved
0.6736 Remote Similarity NPD3089 Approved
0.6736 Remote Similarity NPD4745 Approved
0.6733 Remote Similarity NPD2575 Approved
0.6718 Remote Similarity NPD4025 Clinical (unspecified phase)
0.6718 Remote Similarity NPD4253 Approved
0.6718 Remote Similarity NPD4254 Approved
0.6712 Remote Similarity NPD6817 Clinical (unspecified phase)
0.6693 Remote Similarity NPD6647 Phase 2
0.6693 Remote Similarity NPD4231 Approved
0.6693 Remote Similarity NPD4229 Approved
0.6692 Remote Similarity NPD4720 Approved
0.6692 Remote Similarity NPD4717 Approved
0.6692 Remote Similarity NPD4718 Approved
0.6691 Remote Similarity NPD2227 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3123 Discovery
0.6667 Remote Similarity NPD7130 Phase 3
0.6644 Remote Similarity NPD4686 Approved
0.6644 Remote Similarity NPD4685 Phase 3
0.6644 Remote Similarity NPD4684 Phase 3
0.6643 Remote Similarity NPD5201 Approved
0.6643 Remote Similarity NPD4659 Approved
0.6643 Remote Similarity NPD4620 Approved
0.6643 Remote Similarity NPD5203 Approved
0.6643 Remote Similarity NPD4617 Approved
0.6643 Remote Similarity NPD5202 Clinical (unspecified phase)
0.6601 Remote Similarity NPD8165 Discontinued
0.6599 Remote Similarity NPD3528 Clinical (unspecified phase)
0.6597 Remote Similarity NPD4794 Discontinued
0.6597 Remote Similarity NPD6919 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6325 Discontinued
0.6594 Remote Similarity NPD5238 Clinical (unspecified phase)
0.6594 Remote Similarity NPD5723 Approved
0.6585 Remote Similarity NPD3718 Approved
0.6585 Remote Similarity NPD3719 Approved
0.6579 Remote Similarity NPD7274 Clinical (unspecified phase)
0.6575 Remote Similarity NPD5120 Approved
0.6575 Remote Similarity NPD5121 Approved
0.6575 Remote Similarity NPD5119 Approved
0.6573 Remote Similarity NPD4175 Approved
0.6573 Remote Similarity NPD4177 Approved
0.6573 Remote Similarity NPD5759 Approved
0.6571 Remote Similarity NPD3072 Approved
0.6571 Remote Similarity NPD7814 Approved
0.6571 Remote Similarity NPD3073 Approved
0.6571 Remote Similarity NPD3071 Approved
0.6569 Remote Similarity NPD2217 Approved
0.6569 Remote Similarity NPD2218 Phase 2
0.6569 Remote Similarity NPD316 Approved
0.6567 Remote Similarity NPD2650 Approved
0.6567 Remote Similarity NPD2652 Approved
0.6556 Remote Similarity NPD7179 Phase 2
0.6554 Remote Similarity NPD2567 Approved
0.6554 Remote Similarity NPD2569 Approved
0.6549 Remote Similarity NPD4103 Phase 2
0.6549 Remote Similarity NPD4104 Clinical (unspecified phase)
0.6547 Remote Similarity NPD4106 Approved
0.6547 Remote Similarity NPD4135 Approved
0.6547 Remote Similarity NPD4136 Approved
0.6544 Remote Similarity NPD5292 Approved
0.6544 Remote Similarity NPD5291 Approved
0.6522 Remote Similarity NPD1710 Approved
0.6516 Remote Similarity NPD7613 Discontinued
0.6508 Remote Similarity NPD9609 Approved
0.6508 Remote Similarity NPD9611 Approved
0.6508 Remote Similarity NPD9612 Approved
0.65 Remote Similarity NPD4761 Approved
0.65 Remote Similarity NPD4762 Approved
0.65 Remote Similarity NPD5338 Clinical (unspecified phase)
0.6496 Remote Similarity NPD9616 Approved
0.6496 Remote Similarity NPD9615 Approved
0.6496 Remote Similarity NPD9613 Approved
0.6486 Remote Similarity NPD6073 Approved
0.6486 Remote Similarity NPD5725 Approved
0.6483 Remote Similarity NPD5454 Clinical (unspecified phase)
0.6483 Remote Similarity NPD4497 Clinical (unspecified phase)
0.6483 Remote Similarity NPD6039 Approved
0.6479 Remote Similarity NPD2079 Discontinued
0.6475 Remote Similarity NPD7342 Discontinued
0.6475 Remote Similarity NPD5305 Approved
0.6475 Remote Similarity NPD5306 Approved
0.6471 Remote Similarity NPD7508 Discontinued
0.6467 Remote Similarity NPD7512 Approved
0.6467 Remote Similarity NPD7511 Approved
0.6467 Remote Similarity NPD7939 Discontinued
0.6466 Remote Similarity NPD2201 Approved
0.6463 Remote Similarity NPD6311 Approved
0.6463 Remote Similarity NPD6310 Approved
0.6463 Remote Similarity NPD6309 Approved
0.6452 Remote Similarity NPD8389 Clinical (unspecified phase)
0.6444 Remote Similarity NPD2228 Approved
0.6444 Remote Similarity NPD2229 Approved
0.6444 Remote Similarity NPD2234 Approved
0.6434 Remote Similarity NPD4656 Approved
0.6434 Remote Similarity NPD4658 Approved
0.6434 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6429 Remote Similarity NPD7813 Approved
0.6429 Remote Similarity NPD7815 Approved
0.6429 Remote Similarity NPD4956 Approved
0.6424 Remote Similarity NPD7702 Clinical (unspecified phase)
0.6423 Remote Similarity NPD4576 Approved
0.6423 Remote Similarity NPD4574 Approved
0.6418 Remote Similarity NPD4571 Approved
0.6418 Remote Similarity NPD4572 Approved
0.6418 Remote Similarity NPD4573 Approved
0.6415 Remote Similarity NPD7118 Clinical (unspecified phase)
0.6414 Remote Similarity NPD5263 Approved
0.6414 Remote Similarity NPD4676 Approved
0.6412 Remote Similarity NPD5704 Approved
0.6412 Remote Similarity NPD5706 Approved
0.6412 Remote Similarity NPD3524 Approved
0.6412 Remote Similarity NPD810 Approved
0.6412 Remote Similarity NPD811 Approved
0.6412 Remote Similarity NPD812 Approved
0.6412 Remote Similarity NPD1445 Approved
0.6412 Remote Similarity NPD3526 Approved
0.6412 Remote Similarity NPD5705 Approved
0.6412 Remote Similarity NPD1444 Approved
0.6403 Remote Similarity NPD4105 Approved
0.6403 Remote Similarity NPD4102 Approved
0.64 Remote Similarity NPD4814 Discontinued
0.6397 Remote Similarity NPD1711 Phase 2
0.6397 Remote Similarity NPD747 Discontinued
0.6391 Remote Similarity NPD5235 Approved
0.6391 Remote Similarity NPD5236 Approved
0.6391 Remote Similarity NPD5239 Approved
0.6391 Remote Similarity NPD5240 Approved

Structure

External Identifiers

PubChem CID   90681740
ChEMBL   CHEMBL3289436
ZINC  

Physicochemical Properties

Molecular Weight:  567.36
ALogP:  0.7286
MLogP:  4.43
XLogP:  6.787
# Rotatable Bonds:  26
Polar Surface Area:  121.46
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  41

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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