Natural Product: NPC472492

Natural Product ID:  NPC472492
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  ATPDASPSNNPCMV-JJLDTBFASA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-12-17(21)14-11-20(12,22)10-13-6-7-15-18(2,3)8-5-9-19(15,4)16(13)14/h12,14-15,22H,5-11H2,1-4H3/t12-,14+,15-,19-,20-/m1/s1
Canonical SMILES:  O=C1[C@H]2C[C@]([C@@H]1C)(O)CC1=C2[C@]2(C)CCCC([C@H]2CC1)(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
NPO32442 jungermannia fauriana Species Jungermanniaceae Eukaryota Guangxi Zhuang Autonomous Region, China PMID[25856683]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 > 50000 nM 22652254
NPT2 Others Unspecified IC50 > 50000 nM DrugMatrix in vitro pharmacology data
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 > 50000 nM 22119150
NPT858 Cell Line LNCaP Homo sapiens IC50 > 50000 nM 15620268
NPT90 Cell Line DU-145 Homo sapiens IC50 > 50000 nM 10.6019/CHEMBL1201861
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 50000 nM 10757713
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM 15217289
NPT2 Others Unspecified IC50 > 50000 nM 17477572
NPT2 Others Unspecified IC50 > 50000 nM 10377219
NPT114 Cell Line LoVo Homo sapiens IC50 > 50000 nM 14510611
NPT2 Others Unspecified IC50 > 50000 nM 20669972
NPT2 Others Unspecified IC50 > 50000 nM 18180357
NPT2 Others Unspecified IC50 > 50000 nM 19687244

  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 NPC472492 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
0.9625 High Similarity NPC472494
0.9625 High Similarity NPC472491
0.9506 High Similarity NPC472493
0.9375 High Similarity NPC472480
0.9146 High Similarity NPC472488
0.9036 High Similarity NPC472482
0.9036 High Similarity NPC472484
0.9036 High Similarity NPC472481
0.8929 High Similarity NPC472483
0.8824 High Similarity NPC472489
0.8765 High Similarity NPC150506
0.869 High Similarity NPC472479
0.8539 High Similarity NPC472485
0.8488 Intermediate Similarity NPC328313
0.8434 Intermediate Similarity NPC193347
0.8391 Intermediate Similarity NPC472477
0.8391 Intermediate Similarity NPC472475
0.8295 Intermediate Similarity NPC472476
0.8276 Intermediate Similarity NPC471724
0.8235 Intermediate Similarity NPC144258
0.8214 Intermediate Similarity NPC260956
0.8182 Intermediate Similarity NPC76879
0.8161 Intermediate Similarity NPC138756
0.814 Intermediate Similarity NPC474218
0.8118 Intermediate Similarity NPC477373
0.8118 Intermediate Similarity NPC477852
0.8101 Intermediate Similarity NPC144627
0.8095 Intermediate Similarity NPC201912
0.8095 Intermediate Similarity NPC38350
0.8072 Intermediate Similarity NPC215843
0.8068 Intermediate Similarity NPC53911
0.8068 Intermediate Similarity NPC471722
0.8046 Intermediate Similarity NPC72133
0.8043 Intermediate Similarity NPC95565
0.8023 Intermediate Similarity NPC59453
0.8023 Intermediate Similarity NPC82902
0.8023 Intermediate Similarity NPC221758
0.8 Intermediate Similarity NPC23434
0.8 Intermediate Similarity NPC151519
0.8 Intermediate Similarity NPC150383
0.7978 Intermediate Similarity NPC472970
0.7978 Intermediate Similarity NPC472971
0.7978 Intermediate Similarity NPC54689
0.7952 Intermediate Similarity NPC476808
0.7935 Intermediate Similarity NPC473648
0.7935 Intermediate Similarity NPC263347
0.7927 Intermediate Similarity NPC92080
0.7912 Intermediate Similarity NPC243866
0.7912 Intermediate Similarity NPC25750
0.7907 Intermediate Similarity NPC168188
0.7907 Intermediate Similarity NPC83569
0.7907 Intermediate Similarity NPC470015
0.7907 Intermediate Similarity NPC69279
0.7889 Intermediate Similarity NPC136801
0.7889 Intermediate Similarity NPC69622
0.7882 Intermediate Similarity NPC147066
0.7865 Intermediate Similarity NPC242864
0.7865 Intermediate Similarity NPC143767
0.7865 Intermediate Similarity NPC131470
0.7857 Intermediate Similarity NPC472490
0.7857 Intermediate Similarity NPC477371
0.7841 Intermediate Similarity NPC145879
0.7841 Intermediate Similarity NPC89077
0.7841 Intermediate Similarity NPC469994
0.7841 Intermediate Similarity NPC20688
0.7841 Intermediate Similarity NPC474778
0.7841 Intermediate Similarity NPC474732
0.7841 Intermediate Similarity NPC28252
0.7841 Intermediate Similarity NPC474733
0.7841 Intermediate Similarity NPC55309
0.7841 Intermediate Similarity NPC118648
0.7841 Intermediate Similarity NPC51014
0.7841 Intermediate Similarity NPC31564
0.7841 Intermediate Similarity NPC222613
0.7841 Intermediate Similarity NPC475022
0.7841 Intermediate Similarity NPC94755
0.7816 Intermediate Similarity NPC473246
0.7816 Intermediate Similarity NPC58841
0.7816 Intermediate Similarity NPC329043
0.7816 Intermediate Similarity NPC161423
0.7816 Intermediate Similarity NPC227064
0.7816 Intermediate Similarity NPC209882
0.7816 Intermediate Similarity NPC321187
0.7791 Intermediate Similarity NPC133391
0.7791 Intermediate Similarity NPC469325
0.7791 Intermediate Similarity NPC110780
0.7789 Intermediate Similarity NPC110149
0.7778 Intermediate Similarity NPC326627
0.7778 Intermediate Similarity NPC32830
0.7778 Intermediate Similarity NPC86319
0.7778 Intermediate Similarity NPC2983
0.7778 Intermediate Similarity NPC119416
0.7778 Intermediate Similarity NPC474245
0.7778 Intermediate Similarity NPC310010
0.7778 Intermediate Similarity NPC275740
0.7778 Intermediate Similarity NPC477943
0.7766 Intermediate Similarity NPC472689
0.7766 Intermediate Similarity NPC472690
0.7766 Intermediate Similarity NPC477267
0.7766 Intermediate Similarity NPC477268
0.7765 Intermediate Similarity NPC469637
0.7765 Intermediate Similarity NPC476809
0.7753 Intermediate Similarity NPC159046
0.7753 Intermediate Similarity NPC136548
0.7753 Intermediate Similarity NPC317590
0.7753 Intermediate Similarity NPC233836
0.7753 Intermediate Similarity NPC99909
0.7753 Intermediate Similarity NPC187376
0.7753 Intermediate Similarity NPC475740
0.7753 Intermediate Similarity NPC58063
0.7753 Intermediate Similarity NPC96496
0.7753 Intermediate Similarity NPC165895
0.7742 Intermediate Similarity NPC241156
0.7742 Intermediate Similarity NPC469599
0.7742 Intermediate Similarity NPC45324
0.7742 Intermediate Similarity NPC127063
0.7742 Intermediate Similarity NPC69548
0.7742 Intermediate Similarity NPC48330
0.7742 Intermediate Similarity NPC162001
0.7742 Intermediate Similarity NPC184848
0.7742 Intermediate Similarity NPC200702
0.7742 Intermediate Similarity NPC222845
0.7738 Intermediate Similarity NPC207772
0.7738 Intermediate Similarity NPC30321
0.7727 Intermediate Similarity NPC102292
0.7727 Intermediate Similarity NPC123319
0.7727 Intermediate Similarity NPC473038
0.7727 Intermediate Similarity NPC94531
0.7727 Intermediate Similarity NPC469948
0.7727 Intermediate Similarity NPC474083
0.7727 Intermediate Similarity NPC197823
0.7727 Intermediate Similarity NPC311702
0.7717 Intermediate Similarity NPC66429
0.7717 Intermediate Similarity NPC470376
0.7717 Intermediate Similarity NPC474807
0.7717 Intermediate Similarity NPC233118
0.7717 Intermediate Similarity NPC472942
0.7717 Intermediate Similarity NPC152897
0.7717 Intermediate Similarity NPC134826
0.7717 Intermediate Similarity NPC470375
0.7717 Intermediate Similarity NPC206810
0.7717 Intermediate Similarity NPC250575
0.7708 Intermediate Similarity NPC473514
0.7701 Intermediate Similarity NPC476082
0.7701 Intermediate Similarity NPC278648
0.7692 Intermediate Similarity NPC191684
0.7692 Intermediate Similarity NPC171441
0.7692 Intermediate Similarity NPC183283
0.7692 Intermediate Similarity NPC478258
0.7692 Intermediate Similarity NPC478257
0.7692 Intermediate Similarity NPC469400
0.7692 Intermediate Similarity NPC320026
0.7684 Intermediate Similarity NPC186810
0.7674 Intermediate Similarity NPC14151
0.7674 Intermediate Similarity NPC477372
0.7667 Intermediate Similarity NPC328539
0.7667 Intermediate Similarity NPC193360
0.7667 Intermediate Similarity NPC44181
0.7667 Intermediate Similarity NPC474677
0.7667 Intermediate Similarity NPC320665
0.766 Intermediate Similarity NPC120708
0.766 Intermediate Similarity NPC49371
0.766 Intermediate Similarity NPC155676
0.766 Intermediate Similarity NPC125622
0.766 Intermediate Similarity NPC173272
0.764 Intermediate Similarity NPC212843
0.764 Intermediate Similarity NPC155011
0.7634 Intermediate Similarity NPC166906
0.7634 Intermediate Similarity NPC111015
0.7629 Intermediate Similarity NPC473424
0.7619 Intermediate Similarity NPC257666
0.7619 Intermediate Similarity NPC266193
0.7614 Intermediate Similarity NPC85774
0.7614 Intermediate Similarity NPC214043
0.7614 Intermediate Similarity NPC237712
0.7609 Intermediate Similarity NPC63748
0.7609 Intermediate Similarity NPC233116
0.7609 Intermediate Similarity NPC154101
0.7609 Intermediate Similarity NPC297265
0.7609 Intermediate Similarity NPC26888
0.7609 Intermediate Similarity NPC73457
0.7609 Intermediate Similarity NPC475806
0.7604 Intermediate Similarity NPC316964
0.7604 Intermediate Similarity NPC154072
0.7586 Intermediate Similarity NPC73882
0.7586 Intermediate Similarity NPC46881
0.7586 Intermediate Similarity NPC320514
0.7582 Intermediate Similarity NPC215029
0.7582 Intermediate Similarity NPC474570
0.7582 Intermediate Similarity NPC84271
0.7582 Intermediate Similarity NPC77168
0.7582 Intermediate Similarity NPC268406
0.7582 Intermediate Similarity NPC102414
0.7582 Intermediate Similarity NPC476733
0.7582 Intermediate Similarity NPC31985
0.7582 Intermediate Similarity NPC309603
0.7582 Intermediate Similarity NPC474889
0.7582 Intermediate Similarity NPC473999
0.7582 Intermediate Similarity NPC186688
0.7582 Intermediate Similarity NPC122116

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472492 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
0.8765 High Similarity NPD4692 Approved
0.8765 High Similarity NPD4139 Approved
0.8471 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.8434 Intermediate Similarity NPD4221 Approved
0.8434 Intermediate Similarity NPD4223 Phase 3
0.8256 Intermediate Similarity NPD5690 Phase 2
0.8256 Intermediate Similarity NPD4694 Approved
0.8256 Intermediate Similarity NPD5280 Approved
0.8235 Intermediate Similarity NPD4197 Approved
0.814 Intermediate Similarity NPD5329 Approved
0.8046 Intermediate Similarity NPD5205 Approved
0.8046 Intermediate Similarity NPD4688 Approved
0.8046 Intermediate Similarity NPD4690 Approved
0.8046 Intermediate Similarity NPD4689 Approved
0.8046 Intermediate Similarity NPD4693 Phase 3
0.8046 Intermediate Similarity NPD4138 Approved
0.8023 Intermediate Similarity NPD4786 Approved
0.8 Intermediate Similarity NPD3667 Approved
0.8 Intermediate Similarity NPD5284 Approved
0.8 Intermediate Similarity NPD5281 Approved
0.7952 Intermediate Similarity NPD3617 Approved
0.7912 Intermediate Similarity NPD4202 Approved
0.7841 Intermediate Similarity NPD3618 Phase 1
0.7816 Intermediate Similarity NPD3133 Approved
0.7816 Intermediate Similarity NPD3666 Approved
0.7816 Intermediate Similarity NPD3665 Phase 1
0.7778 Intermediate Similarity NPD4753 Phase 2
0.7765 Intermediate Similarity NPD4748 Discontinued
0.7717 Intermediate Similarity NPD5133 Approved
0.7692 Intermediate Similarity NPD4096 Approved
0.7667 Intermediate Similarity NPD4518 Approved
0.7647 Intermediate Similarity NPD4195 Approved
0.7582 Intermediate Similarity NPD5328 Approved
0.7579 Intermediate Similarity NPD4755 Approved
0.7553 Intermediate Similarity NPD5210 Approved
0.7553 Intermediate Similarity NPD5695 Phase 3
0.7553 Intermediate Similarity NPD4629 Approved
0.7527 Intermediate Similarity NPD6399 Phase 3
0.75 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4788 Approved
0.75 Intermediate Similarity NPD5207 Approved
0.75 Intermediate Similarity NPD5360 Phase 3
0.747 Intermediate Similarity NPD4784 Approved
0.747 Intermediate Similarity NPD4785 Approved
0.7444 Intermediate Similarity NPD5279 Phase 3
0.7444 Intermediate Similarity NPD6098 Approved
0.7439 Intermediate Similarity NPD4243 Approved
0.7423 Intermediate Similarity NPD4700 Approved
0.7423 Intermediate Similarity NPD4696 Approved
0.7423 Intermediate Similarity NPD5285 Approved
0.7423 Intermediate Similarity NPD5286 Approved
0.7419 Intermediate Similarity NPD6079 Approved
0.7416 Intermediate Similarity NPD3668 Phase 3
0.7347 Intermediate Similarity NPD5223 Approved
0.732 Intermediate Similarity NPD5696 Approved
0.7312 Intermediate Similarity NPD5692 Phase 3
0.7294 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD4697 Phase 3
0.7283 Intermediate Similarity NPD5208 Approved
0.7273 Intermediate Similarity NPD5211 Phase 2
0.7273 Intermediate Similarity NPD5226 Approved
0.7273 Intermediate Similarity NPD5224 Approved
0.7273 Intermediate Similarity NPD5225 Approved
0.7273 Intermediate Similarity NPD4633 Approved
0.7263 Intermediate Similarity NPD6001 Approved
0.7234 Intermediate Similarity NPD6050 Approved
0.7234 Intermediate Similarity NPD5694 Approved
0.7229 Intermediate Similarity NPD4758 Discontinued
0.7216 Intermediate Similarity NPD6083 Phase 2
0.7216 Intermediate Similarity NPD6084 Phase 2
0.7204 Intermediate Similarity NPD6080 Approved
0.7204 Intermediate Similarity NPD6904 Approved
0.7204 Intermediate Similarity NPD6673 Approved
0.72 Intermediate Similarity NPD5174 Approved
0.72 Intermediate Similarity NPD4754 Approved
0.72 Intermediate Similarity NPD5175 Approved
0.7188 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5275 Approved
0.7176 Intermediate Similarity NPD4190 Phase 3
0.7159 Intermediate Similarity NPD4695 Discontinued
0.7129 Intermediate Similarity NPD5141 Approved
0.7115 Intermediate Similarity NPD4634 Approved
0.7113 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD5222 Approved
0.7113 Intermediate Similarity NPD5221 Approved
0.7108 Intermediate Similarity NPD4747 Approved
0.71 Intermediate Similarity NPD5091 Approved
0.7065 Intermediate Similarity NPD4623 Approved
0.7065 Intermediate Similarity NPD6409 Approved
0.7065 Intermediate Similarity NPD4519 Discontinued
0.7065 Intermediate Similarity NPD6684 Approved
0.7065 Intermediate Similarity NPD7146 Approved
0.7065 Intermediate Similarity NPD5330 Approved
0.7065 Intermediate Similarity NPD7521 Approved
0.7065 Intermediate Similarity NPD7334 Approved
0.7059 Intermediate Similarity NPD4768 Approved
0.7059 Intermediate Similarity NPD6675 Approved
0.7059 Intermediate Similarity NPD7128 Approved
0.7059 Intermediate Similarity NPD6402 Approved
0.7059 Intermediate Similarity NPD4767 Approved
0.7059 Intermediate Similarity NPD5733 Approved
0.7059 Intermediate Similarity NPD5739 Approved
0.7059 Intermediate Similarity NPD4687 Approved
0.7053 Intermediate Similarity NPD5693 Phase 1
0.7041 Intermediate Similarity NPD5173 Approved
0.7024 Intermediate Similarity NPD4809 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5276 Approved
0.7024 Intermediate Similarity NPD4808 Clinical (unspecified phase)
0.7019 Intermediate Similarity NPD6373 Approved
0.7019 Intermediate Similarity NPD6372 Approved
0.701 Intermediate Similarity NPD5654 Approved
0.699 Remote Similarity NPD5697 Approved
0.699 Remote Similarity NPD5701 Approved
0.6988 Remote Similarity NPD4137 Phase 3
0.6988 Remote Similarity NPD3698 Phase 2
0.6988 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3699 Clinical (unspecified phase)
0.6977 Remote Similarity NPD7339 Approved
0.6977 Remote Similarity NPD6942 Approved
0.6957 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6923 Remote Similarity NPD4729 Approved
0.6923 Remote Similarity NPD5128 Approved
0.6923 Remote Similarity NPD6881 Approved
0.6923 Remote Similarity NPD4730 Approved
0.6923 Remote Similarity NPD6899 Approved
0.6923 Remote Similarity NPD7320 Approved
0.6923 Remote Similarity NPD6011 Approved
0.6915 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6915 Remote Similarity NPD6903 Approved
0.6914 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6905 Remote Similarity NPD4245 Approved
0.6905 Remote Similarity NPD4244 Approved
0.6905 Remote Similarity NPD4691 Approved
0.6893 Remote Similarity NPD6008 Approved
0.6887 Remote Similarity NPD6650 Approved
0.6887 Remote Similarity NPD6649 Approved
0.6869 Remote Similarity NPD5959 Approved
0.6867 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6857 Remote Similarity NPD6013 Approved
0.6857 Remote Similarity NPD6012 Approved
0.6857 Remote Similarity NPD6014 Approved
0.6842 Remote Similarity NPD7285 Clinical (unspecified phase)
0.6829 Remote Similarity NPD4224 Phase 2
0.6809 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6792 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6792 Remote Similarity NPD5250 Approved
0.6792 Remote Similarity NPD5169 Approved
0.6792 Remote Similarity NPD5251 Approved
0.6792 Remote Similarity NPD6883 Approved
0.6792 Remote Similarity NPD7102 Approved
0.6792 Remote Similarity NPD5135 Approved
0.6792 Remote Similarity NPD5248 Approved
0.6792 Remote Similarity NPD5249 Phase 3
0.6792 Remote Similarity NPD7290 Approved
0.6792 Remote Similarity NPD5247 Approved
0.6782 Remote Similarity NPD3702 Approved
0.6778 Remote Similarity NPD7525 Registered
0.6742 Remote Similarity NPD5364 Discontinued
0.6737 Remote Similarity NPD5737 Approved
0.6737 Remote Similarity NPD6672 Approved
0.6729 Remote Similarity NPD6869 Approved
0.6729 Remote Similarity NPD6847 Approved
0.6729 Remote Similarity NPD5216 Approved
0.6729 Remote Similarity NPD5217 Approved
0.6729 Remote Similarity NPD6617 Approved
0.6729 Remote Similarity NPD8130 Phase 1
0.6729 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6729 Remote Similarity NPD5127 Approved
0.6729 Remote Similarity NPD5215 Approved
0.6727 Remote Similarity NPD7115 Discovery
0.6707 Remote Similarity NPD7341 Phase 2
0.6706 Remote Similarity NPD4789 Approved
0.6703 Remote Similarity NPD5369 Approved
0.6701 Remote Similarity NPD7515 Phase 2
0.6701 Remote Similarity NPD8035 Phase 2
0.6701 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD6113 Clinical (unspecified phase)
0.6667 Remote Similarity NPD8297 Approved
0.6667 Remote Similarity NPD6882 Approved
0.6667 Remote Similarity NPD4058 Approved
0.6632 Remote Similarity NPD3573 Approved
0.6628 Remote Similarity NPD6081 Approved
0.6606 Remote Similarity NPD4632 Approved
0.6591 Remote Similarity NPD3703 Phase 2
0.6566 Remote Similarity NPD7748 Approved
0.6549 Remote Similarity NPD6054 Approved
0.6549 Remote Similarity NPD6059 Approved
0.6549 Remote Similarity NPD6319 Approved
0.6545 Remote Similarity NPD5167 Approved
0.6538 Remote Similarity NPD6052 Approved
0.6535 Remote Similarity NPD7902 Approved
0.6531 Remote Similarity NPD6411 Approved
0.6517 Remote Similarity NPD6117 Approved
0.6491 Remote Similarity NPD6016 Approved
0.6491 Remote Similarity NPD6015 Approved
0.6486 Remote Similarity NPD6274 Approved
0.6477 Remote Similarity NPD6924 Approved
0.6477 Remote Similarity NPD6926 Approved
0.6452 Remote Similarity NPD4269 Approved
0.6452 Remote Similarity NPD4270 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426500
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  0.8116
MLogP:  3.44
XLogP:  3.984
# Rotatable Bonds:  5
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  22

Download Data

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Biological Activities  
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