Natural Product: NPC472479

Natural Product ID:  NPC472479
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H28O2
Standard InCHIKey:  DGKNOMBMBJXZGO-DMSXTEQDSA-N
Standard InCHI:  InChI=1S/C20H28O2/c1-13-16(21)19-10-6-14-17(2,3)8-5-9-18(14,4)15(19)7-11-20(13,22)12-19/h7,14,22H,1,5-6,8-12H2,2-4H3/t14-,18-,19-,20+/m1/s1
Canonical SMILES:  O=C1C(=C)[C@]2(C[C@]31CC[C@H]1[C@@](C3=CC2)(C)CCCC1(C)C)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
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 = 1700 nM 16408017
NPT111 Cell Line K562 Homo sapiens IC50 = 1900 nM 17850214
NPT858 Cell Line LNCaP Homo sapiens IC50 = 3200 nM 20541427
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 = 4200 nM 15863306
NPT2 Others Unspecified IC50 = 1300 nM 10.6019/CHEMBL1201861
NPT2 Others Unspecified IC50 = 1000 nM 10869203
NPT2 Others Unspecified IC50 = 1800 nM 11012033
NPT90 Cell Line DU-145 Homo sapiens IC50 = 5500 nM 20733041
NPT114 Cell Line LoVo Homo sapiens IC50 = 1800 nM 8946748
NPT2410 Cell Line NCI-H1299 Homo sapiens IC50 = 2400 nM 18088097
NPT2 Others Unspecified IC50 = 1200 nM 15387645
NPT2 Others Unspecified IC50 = 3800 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 = 3200 nM 23675651
NPT2 Others Unspecified IC50 = 6200 nM 26191371

  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 NPC472479 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
0.9639 High Similarity NPC472477
0.9639 High Similarity NPC472475
0.9524 High Similarity NPC472476
0.9512 High Similarity NPC472488
0.9268 High Similarity NPC472480
0.9176 High Similarity NPC472489
0.8941 High Similarity NPC472481
0.8941 High Similarity NPC472484
0.8941 High Similarity NPC472482
0.8837 High Similarity NPC472483
0.869 High Similarity NPC472492
0.8571 High Similarity NPC193347
0.8409 Intermediate Similarity NPC328313
0.8391 Intermediate Similarity NPC472491
0.8391 Intermediate Similarity NPC472494
0.8372 Intermediate Similarity NPC144258
0.8333 Intermediate Similarity NPC472478
0.8333 Intermediate Similarity NPC469637
0.8333 Intermediate Similarity NPC476809
0.8315 Intermediate Similarity NPC262043
0.8295 Intermediate Similarity NPC472493
0.8295 Intermediate Similarity NPC136948
0.8261 Intermediate Similarity NPC472485
0.8242 Intermediate Similarity NPC474807
0.8222 Intermediate Similarity NPC48010
0.8214 Intermediate Similarity NPC170394
0.8214 Intermediate Similarity NPC215843
0.8202 Intermediate Similarity NPC48107
0.8202 Intermediate Similarity NPC471791
0.8202 Intermediate Similarity NPC471793
0.8202 Intermediate Similarity NPC53911
0.8193 Intermediate Similarity NPC266193
0.8193 Intermediate Similarity NPC257666
0.8182 Intermediate Similarity NPC474732
0.8182 Intermediate Similarity NPC31564
0.8182 Intermediate Similarity NPC474733
0.8182 Intermediate Similarity NPC145879
0.8182 Intermediate Similarity NPC469994
0.8182 Intermediate Similarity NPC474778
0.8161 Intermediate Similarity NPC59453
0.8161 Intermediate Similarity NPC221758
0.814 Intermediate Similarity NPC151519
0.8132 Intermediate Similarity NPC475806
0.8111 Intermediate Similarity NPC2983
0.8111 Intermediate Similarity NPC309603
0.8111 Intermediate Similarity NPC76879
0.8111 Intermediate Similarity NPC472971
0.8111 Intermediate Similarity NPC119416
0.8111 Intermediate Similarity NPC472970
0.8111 Intermediate Similarity NPC473999
0.8095 Intermediate Similarity NPC471409
0.8095 Intermediate Similarity NPC275494
0.8095 Intermediate Similarity NPC207772
0.809 Intermediate Similarity NPC58063
0.809 Intermediate Similarity NPC471792
0.809 Intermediate Similarity NPC475740
0.8068 Intermediate Similarity NPC469948
0.8068 Intermediate Similarity NPC474218
0.8068 Intermediate Similarity NPC29447
0.8068 Intermediate Similarity NPC471224
0.8065 Intermediate Similarity NPC271195
0.8046 Intermediate Similarity NPC477852
0.8046 Intermediate Similarity NPC477373
0.8043 Intermediate Similarity NPC109305
0.8043 Intermediate Similarity NPC474736
0.8023 Intermediate Similarity NPC14151
0.8023 Intermediate Similarity NPC473217
0.8023 Intermediate Similarity NPC147066
0.8 Intermediate Similarity NPC472490
0.8 Intermediate Similarity NPC471724
0.8 Intermediate Similarity NPC72397
0.8 Intermediate Similarity NPC7232
0.8 Intermediate Similarity NPC474677
0.7979 Intermediate Similarity NPC471463
0.7978 Intermediate Similarity NPC194417
0.7978 Intermediate Similarity NPC472974
0.7978 Intermediate Similarity NPC470955
0.7978 Intermediate Similarity NPC51014
0.7978 Intermediate Similarity NPC20688
0.7957 Intermediate Similarity NPC8993
0.7957 Intermediate Similarity NPC292793
0.7955 Intermediate Similarity NPC161423
0.7955 Intermediate Similarity NPC329043
0.7955 Intermediate Similarity NPC227064
0.7955 Intermediate Similarity NPC82902
0.7955 Intermediate Similarity NPC237712
0.7955 Intermediate Similarity NPC472265
0.7955 Intermediate Similarity NPC476412
0.7955 Intermediate Similarity NPC58841
0.7955 Intermediate Similarity NPC214043
0.7955 Intermediate Similarity NPC321187
0.7955 Intermediate Similarity NPC85774
0.7938 Intermediate Similarity NPC87351
0.7935 Intermediate Similarity NPC204341
0.7935 Intermediate Similarity NPC473998
0.7931 Intermediate Similarity NPC320514
0.7931 Intermediate Similarity NPC46881
0.7931 Intermediate Similarity NPC260956
0.7917 Intermediate Similarity NPC154072
0.7912 Intermediate Similarity NPC186688
0.7912 Intermediate Similarity NPC26959
0.7912 Intermediate Similarity NPC268406
0.7912 Intermediate Similarity NPC310010
0.7912 Intermediate Similarity NPC31985
0.7912 Intermediate Similarity NPC477943
0.7912 Intermediate Similarity NPC326627
0.7912 Intermediate Similarity NPC1015
0.7912 Intermediate Similarity NPC32830
0.7912 Intermediate Similarity NPC474245
0.7907 Intermediate Similarity NPC2482
0.7907 Intermediate Similarity NPC108955
0.7907 Intermediate Similarity NPC45495
0.7889 Intermediate Similarity NPC165895
0.7889 Intermediate Similarity NPC96496
0.7889 Intermediate Similarity NPC317590
0.7889 Intermediate Similarity NPC93778
0.7882 Intermediate Similarity NPC476808
0.7882 Intermediate Similarity NPC19443
0.7872 Intermediate Similarity NPC197158
0.7872 Intermediate Similarity NPC471624
0.7865 Intermediate Similarity NPC474083
0.7865 Intermediate Similarity NPC269638
0.7865 Intermediate Similarity NPC179006
0.7865 Intermediate Similarity NPC102292
0.7865 Intermediate Similarity NPC474853
0.7857 Intermediate Similarity NPC76966
0.7857 Intermediate Similarity NPC311612
0.7857 Intermediate Similarity NPC7629
0.7857 Intermediate Similarity NPC151622
0.7857 Intermediate Similarity NPC186554
0.7857 Intermediate Similarity NPC472305
0.7849 Intermediate Similarity NPC233118
0.7841 Intermediate Similarity NPC471036
0.7841 Intermediate Similarity NPC105803
0.7841 Intermediate Similarity NPC291320
0.7835 Intermediate Similarity NPC81530
0.7826 Intermediate Similarity NPC69622
0.7826 Intermediate Similarity NPC320026
0.7816 Intermediate Similarity NPC150506
0.7816 Intermediate Similarity NPC116797
0.7816 Intermediate Similarity NPC201912
0.7816 Intermediate Similarity NPC278459
0.7816 Intermediate Similarity NPC121984
0.7816 Intermediate Similarity NPC477372
0.7816 Intermediate Similarity NPC55869
0.7816 Intermediate Similarity NPC38350
0.7816 Intermediate Similarity NPC164210
0.7812 Intermediate Similarity NPC103051
0.7805 Intermediate Similarity NPC84790
0.7805 Intermediate Similarity NPC144627
0.7802 Intermediate Similarity NPC117122
0.7802 Intermediate Similarity NPC58271
0.7802 Intermediate Similarity NPC471722
0.7802 Intermediate Similarity NPC328539
0.78 Intermediate Similarity NPC185
0.7791 Intermediate Similarity NPC477371
0.7791 Intermediate Similarity NPC474113
0.7789 Intermediate Similarity NPC117133
0.7789 Intermediate Similarity NPC29152
0.7778 Intermediate Similarity NPC222613
0.7778 Intermediate Similarity NPC472869
0.7778 Intermediate Similarity NPC327115
0.7778 Intermediate Similarity NPC475022
0.7778 Intermediate Similarity NPC473168
0.7778 Intermediate Similarity NPC155011
0.7778 Intermediate Similarity NPC118648
0.7778 Intermediate Similarity NPC94666
0.7765 Intermediate Similarity NPC212661
0.7765 Intermediate Similarity NPC34110
0.7765 Intermediate Similarity NPC97377
0.7765 Intermediate Similarity NPC106078
0.7765 Intermediate Similarity NPC471035
0.7765 Intermediate Similarity NPC165711
0.7755 Intermediate Similarity NPC473424
0.7755 Intermediate Similarity NPC136289
0.7755 Intermediate Similarity NPC477915
0.7753 Intermediate Similarity NPC473246
0.7753 Intermediate Similarity NPC33913
0.7753 Intermediate Similarity NPC251170
0.7753 Intermediate Similarity NPC164577
0.7742 Intermediate Similarity NPC131872
0.7742 Intermediate Similarity NPC272746
0.7738 Intermediate Similarity NPC476795
0.7727 Intermediate Similarity NPC133391
0.7727 Intermediate Similarity NPC469325
0.7727 Intermediate Similarity NPC472239
0.7717 Intermediate Similarity NPC472973
0.7717 Intermediate Similarity NPC472676
0.7717 Intermediate Similarity NPC472688
0.7717 Intermediate Similarity NPC474570
0.7711 Intermediate Similarity NPC247586
0.7708 Intermediate Similarity NPC156546
0.7708 Intermediate Similarity NPC126815
0.7708 Intermediate Similarity NPC170131
0.7708 Intermediate Similarity NPC107243
0.77 Intermediate Similarity NPC166607
0.77 Intermediate Similarity NPC149047
0.77 Intermediate Similarity NPC257353
0.7692 Intermediate Similarity NPC90652
0.7692 Intermediate Similarity NPC136548

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472479 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
0.8605 High Similarity NPD3574 Clinical (unspecified phase)
0.8571 High Similarity NPD4221 Approved
0.8571 High Similarity NPD4223 Phase 3
0.8372 Intermediate Similarity NPD4197 Approved
0.8276 Intermediate Similarity NPD5329 Approved
0.8182 Intermediate Similarity NPD4138 Approved
0.8182 Intermediate Similarity NPD5205 Approved
0.8182 Intermediate Similarity NPD4689 Approved
0.8182 Intermediate Similarity NPD4688 Approved
0.8182 Intermediate Similarity NPD4693 Phase 3
0.8182 Intermediate Similarity NPD4690 Approved
0.8182 Intermediate Similarity NPD5690 Phase 2
0.8161 Intermediate Similarity NPD4786 Approved
0.814 Intermediate Similarity NPD3667 Approved
0.8 Intermediate Similarity NPD4195 Approved
0.7978 Intermediate Similarity NPD5280 Approved
0.7978 Intermediate Similarity NPD4623 Approved
0.7978 Intermediate Similarity NPD4519 Discontinued
0.7978 Intermediate Similarity NPD3618 Phase 1
0.7978 Intermediate Similarity NPD4694 Approved
0.7955 Intermediate Similarity NPD3665 Phase 1
0.7955 Intermediate Similarity NPD3666 Approved
0.7955 Intermediate Similarity NPD3133 Approved
0.7912 Intermediate Similarity NPD4753 Phase 2
0.7907 Intermediate Similarity NPD4695 Discontinued
0.7882 Intermediate Similarity NPD3617 Approved
0.7872 Intermediate Similarity NPD5210 Approved
0.7872 Intermediate Similarity NPD4629 Approved
0.7849 Intermediate Similarity NPD4202 Approved
0.7816 Intermediate Similarity NPD4139 Approved
0.7816 Intermediate Similarity NPD4692 Approved
0.7755 Intermediate Similarity NPD5211 Phase 2
0.7742 Intermediate Similarity NPD5281 Approved
0.7742 Intermediate Similarity NPD6079 Approved
0.7742 Intermediate Similarity NPD5284 Approved
0.7717 Intermediate Similarity NPD5328 Approved
0.766 Intermediate Similarity NPD6399 Phase 3
0.764 Intermediate Similarity NPD4788 Approved
0.76 Intermediate Similarity NPD5141 Approved
0.7556 Intermediate Similarity NPD3668 Phase 3
0.7551 Intermediate Similarity NPD5286 Approved
0.7551 Intermediate Similarity NPD5285 Approved
0.7551 Intermediate Similarity NPD4696 Approved
0.7526 Intermediate Similarity NPD4755 Approved
0.7475 Intermediate Similarity NPD5223 Approved
0.7474 Intermediate Similarity NPD5133 Approved
0.747 Intermediate Similarity NPD4691 Approved
0.747 Intermediate Similarity NPD4747 Approved
0.7449 Intermediate Similarity NPD5696 Approved
0.7447 Intermediate Similarity NPD4096 Approved
0.7423 Intermediate Similarity NPD4697 Phase 3
0.7423 Intermediate Similarity NPD5222 Approved
0.7423 Intermediate Similarity NPD5220 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD5221 Approved
0.7419 Intermediate Similarity NPD5208 Approved
0.7419 Intermediate Similarity NPD4518 Approved
0.7412 Intermediate Similarity NPD4785 Approved
0.7412 Intermediate Similarity NPD4784 Approved
0.74 Intermediate Similarity NPD5225 Approved
0.74 Intermediate Similarity NPD5091 Approved
0.74 Intermediate Similarity NPD4633 Approved
0.74 Intermediate Similarity NPD5226 Approved
0.74 Intermediate Similarity NPD5224 Approved
0.7391 Intermediate Similarity NPD5279 Phase 3
0.7391 Intermediate Similarity NPD6098 Approved
0.7381 Intermediate Similarity NPD4243 Approved
0.7374 Intermediate Similarity NPD4700 Approved
0.7368 Intermediate Similarity NPD5693 Phase 1
0.7349 Intermediate Similarity NPD4137 Phase 3
0.7347 Intermediate Similarity NPD6083 Phase 2
0.7347 Intermediate Similarity NPD5173 Approved
0.7347 Intermediate Similarity NPD6084 Phase 2
0.734 Intermediate Similarity NPD6080 Approved
0.734 Intermediate Similarity NPD6904 Approved
0.734 Intermediate Similarity NPD6673 Approved
0.7327 Intermediate Similarity NPD5175 Approved
0.7327 Intermediate Similarity NPD5174 Approved
0.732 Intermediate Similarity NPD5695 Phase 3
0.7315 Intermediate Similarity NPD7115 Discovery
0.7263 Intermediate Similarity NPD5207 Approved
0.7241 Intermediate Similarity NPD3701 Clinical (unspecified phase)
0.7238 Intermediate Similarity NPD4634 Approved
0.7216 Intermediate Similarity NPD6001 Approved
0.7209 Intermediate Similarity NPD4058 Approved
0.7204 Intermediate Similarity NPD7521 Approved
0.7204 Intermediate Similarity NPD7334 Approved
0.7204 Intermediate Similarity NPD6684 Approved
0.7204 Intermediate Similarity NPD7146 Approved
0.7204 Intermediate Similarity NPD6409 Approved
0.7204 Intermediate Similarity NPD5330 Approved
0.7158 Intermediate Similarity NPD7285 Clinical (unspecified phase)
0.7157 Intermediate Similarity NPD4754 Approved
0.7143 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD4751 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD3573 Approved
0.7126 Intermediate Similarity NPD7339 Approved
0.7126 Intermediate Similarity NPD5275 Approved
0.7126 Intermediate Similarity NPD4190 Phase 3
0.7126 Intermediate Similarity NPD6942 Approved
0.7115 Intermediate Similarity NPD5697 Approved
0.7083 Intermediate Similarity NPD5692 Phase 3
0.7053 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD6672 Approved
0.7053 Intermediate Similarity NPD6903 Approved
0.7053 Intermediate Similarity NPD5737 Approved
0.7048 Intermediate Similarity NPD4729 Approved
0.7048 Intermediate Similarity NPD4730 Approved
0.7048 Intermediate Similarity NPD5128 Approved
0.7048 Intermediate Similarity NPD6011 Approved
0.7048 Intermediate Similarity NPD6881 Approved
0.7048 Intermediate Similarity NPD6899 Approved
0.7024 Intermediate Similarity NPD5361 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD3621 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD5360 Phase 3
0.7019 Intermediate Similarity NPD7128 Approved
0.7019 Intermediate Similarity NPD4767 Approved
0.7019 Intermediate Similarity NPD5739 Approved
0.7019 Intermediate Similarity NPD4768 Approved
0.7019 Intermediate Similarity NPD6675 Approved
0.7019 Intermediate Similarity NPD6402 Approved
0.7011 Intermediate Similarity NPD5733 Approved
0.7011 Intermediate Similarity NPD4687 Approved
0.701 Intermediate Similarity NPD5694 Approved
0.701 Intermediate Similarity NPD6050 Approved
0.701 Intermediate Similarity NPD7515 Phase 2
0.7009 Intermediate Similarity NPD6649 Approved
0.7009 Intermediate Similarity NPD6650 Approved
0.6981 Remote Similarity NPD6012 Approved
0.6981 Remote Similarity NPD6013 Approved
0.6981 Remote Similarity NPD6372 Approved
0.6981 Remote Similarity NPD6014 Approved
0.6981 Remote Similarity NPD6373 Approved
0.6977 Remote Similarity NPD5276 Approved
0.6952 Remote Similarity NPD5701 Approved
0.6916 Remote Similarity NPD5169 Approved
0.6916 Remote Similarity NPD5135 Approved
0.6916 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6916 Remote Similarity NPD5251 Approved
0.6916 Remote Similarity NPD5248 Approved
0.6916 Remote Similarity NPD6883 Approved
0.6916 Remote Similarity NPD5249 Phase 3
0.6916 Remote Similarity NPD7290 Approved
0.6916 Remote Similarity NPD5250 Approved
0.6916 Remote Similarity NPD5247 Approved
0.6916 Remote Similarity NPD7102 Approved
0.6915 Remote Similarity NPD1696 Phase 3
0.6887 Remote Similarity NPD7320 Approved
0.6869 Remote Similarity NPD7748 Approved
0.6863 Remote Similarity NPD6404 Discontinued
0.6857 Remote Similarity NPD6008 Approved
0.6852 Remote Similarity NPD5127 Approved
0.6852 Remote Similarity NPD8130 Phase 1
0.6852 Remote Similarity NPD5215 Approved
0.6852 Remote Similarity NPD5217 Approved
0.6852 Remote Similarity NPD6617 Approved
0.6852 Remote Similarity NPD6869 Approved
0.6852 Remote Similarity NPD6847 Approved
0.6852 Remote Similarity NPD5216 Approved
0.6832 Remote Similarity NPD7902 Approved
0.68 Remote Similarity NPD5654 Approved
0.6789 Remote Similarity NPD6882 Approved
0.6789 Remote Similarity NPD8297 Approved
0.6786 Remote Similarity NPD4224 Phase 2
0.6782 Remote Similarity NPD4758 Discontinued
0.6765 Remote Similarity NPD4225 Approved
0.6739 Remote Similarity NPD4748 Discontinued
0.6739 Remote Similarity NPD7525 Registered
0.6737 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6737 Remote Similarity NPD5363 Approved
0.6735 Remote Similarity NPD5785 Approved
0.6733 Remote Similarity NPD7614 Phase 1
0.6729 Remote Similarity NPD5168 Approved
0.6727 Remote Similarity NPD4632 Approved
0.6699 Remote Similarity NPD7640 Approved
0.6699 Remote Similarity NPD7639 Approved
0.6697 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5959 Approved
0.6667 Remote Similarity NPD6054 Approved
0.6667 Remote Similarity NPD5167 Approved
0.6667 Remote Similarity NPD6319 Approved
0.6667 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6052 Approved
0.6667 Remote Similarity NPD7341 Phase 2
0.6636 Remote Similarity NPD6614 Approved
0.6629 Remote Similarity NPD6924 Approved
0.6629 Remote Similarity NPD6926 Approved
0.6609 Remote Similarity NPD6015 Approved
0.6609 Remote Similarity NPD6016 Approved
0.6607 Remote Similarity NPD6274 Approved
0.6602 Remote Similarity NPD7638 Approved
0.6596 Remote Similarity NPD4270 Approved
0.6596 Remote Similarity NPD4269 Approved
0.6596 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4809 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4808 Clinical (unspecified phase)
0.6588 Remote Similarity NPD7331 Phase 2
0.6579 Remote Similarity NPD4522 Approved
0.6562 Remote Similarity NPD1694 Approved
0.6559 Remote Similarity NPD6931 Approved
0.6559 Remote Similarity NPD6930 Phase 2

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3426487
ZINC  

Physicochemical Properties

Molecular Weight:  300.21
ALogP:  0.9992
MLogP:  3.44
XLogP:  4.515
# Rotatable Bonds:  4
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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