Natural Product: NPC322982

Natural Product ID:  NPC322982
Common Name:   Phelligridin G
IUPAC Name:   3-[5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5',6'-dihydroxy-3-oxospiro[furan-2,1'-indene]-2'-yl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
Synonyms:   Phelligridin G
Molecular Formula:   C32H18O12
Standard InCHIKey:  FNYDGJUOSXPBRL-HNQUOIGGSA-N
Standard InCHI:  InChI=1S/C32H18O12/c33-20-4-2-13(5-21(20)34)1-3-15-8-28(39)32(44-15)18-11-25(38)22(35)7-14(18)6-19(32)26-12-27-29(31(41)42-26)16-9-23(36)24(37)10-17(16)30(40)43-27/h1-12,33-38H/b3-1+
Canonical SMILES:  Oc1cc2c(cc1O)C=C(C12OC(=CC1=O)/C=C/c1ccc(c(c1)O)O)c1oc(=O)c2c(c1)oc(=O)c1c2cc(O)c(c1)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
NPO24588 Phellinus igniarius Species Hymenochaetaceae Eukaryota PMID[15844878]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Ratio IC50 = 1.48 17980585
NPT2 Others Unspecified Ratio IC50 = 0.43 17980585
NPT2 Others Unspecified IC50 = 92300 nM 17980585

  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 NPC322982 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
0.9545 High Similarity NPC123208
0.9026 High Similarity NPC155910
0.9026 High Similarity NPC17042
0.8797 High Similarity NPC270268
0.8758 High Similarity NPC91546
0.8693 High Similarity NPC290664
0.8506 High Similarity NPC191280
0.8442 Intermediate Similarity NPC257173
0.8412 Intermediate Similarity NPC47386
0.8382 Intermediate Similarity NPC198902
0.8323 Intermediate Similarity NPC9099
0.8312 Intermediate Similarity NPC156307
0.8291 Intermediate Similarity NPC470130
0.8253 Intermediate Similarity NPC471750
0.825 Intermediate Similarity NPC229264
0.8242 Intermediate Similarity NPC471968
0.8221 Intermediate Similarity NPC92747
0.8221 Intermediate Similarity NPC265862
0.8217 Intermediate Similarity NPC9218
0.821 Intermediate Similarity NPC32197
0.8208 Intermediate Similarity NPC171706
0.8182 Intermediate Similarity NPC203757
0.8171 Intermediate Similarity NPC161159
0.8166 Intermediate Similarity NPC109990
0.8133 Intermediate Similarity NPC134925
0.8125 Intermediate Similarity NPC477333
0.8121 Intermediate Similarity NPC125487
0.8121 Intermediate Similarity NPC281703
0.811 Intermediate Similarity NPC267091
0.8107 Intermediate Similarity NPC145847
0.8107 Intermediate Similarity NPC144557
0.8081 Intermediate Similarity NPC41494
0.8081 Intermediate Similarity NPC216403
0.8081 Intermediate Similarity NPC186100
0.8072 Intermediate Similarity NPC80489
0.8063 Intermediate Similarity NPC474692
0.8061 Intermediate Similarity NPC475162
0.8061 Intermediate Similarity NPC266084
0.8061 Intermediate Similarity NPC83663
0.8061 Intermediate Similarity NPC475145
0.8061 Intermediate Similarity NPC475216
0.8061 Intermediate Similarity NPC475595
0.8061 Intermediate Similarity NPC473544
0.8059 Intermediate Similarity NPC272750
0.8059 Intermediate Similarity NPC173729
0.8059 Intermediate Similarity NPC223006
0.8059 Intermediate Similarity NPC134047
0.8049 Intermediate Similarity NPC477334
0.8049 Intermediate Similarity NPC252979
0.8049 Intermediate Similarity NPC243891
0.8037 Intermediate Similarity NPC42464
0.8024 Intermediate Similarity NPC473275
0.8024 Intermediate Similarity NPC470896
0.8012 Intermediate Similarity NPC477299
0.8 Intermediate Similarity NPC37331
0.8 Intermediate Similarity NPC303090
0.8 Intermediate Similarity NPC164937
0.8 Intermediate Similarity NPC220664
0.8 Intermediate Similarity NPC284948
0.8 Intermediate Similarity NPC319628
0.7988 Intermediate Similarity NPC300680
0.7988 Intermediate Similarity NPC306343
0.7987 Intermediate Similarity NPC38473
0.7977 Intermediate Similarity NPC202428
0.7977 Intermediate Similarity NPC21956
0.7977 Intermediate Similarity NPC266545
0.7976 Intermediate Similarity NPC187205
0.7976 Intermediate Similarity NPC167098
0.7976 Intermediate Similarity NPC296044
0.7975 Intermediate Similarity NPC192568
0.7975 Intermediate Similarity NPC471076
0.7975 Intermediate Similarity NPC43123
0.7974 Intermediate Similarity NPC94810
0.7966 Intermediate Similarity NPC108191
0.7966 Intermediate Similarity NPC93685
0.7955 Intermediate Similarity NPC156955
0.7953 Intermediate Similarity NPC161151
0.795 Intermediate Similarity NPC32
0.795 Intermediate Similarity NPC122491
0.795 Intermediate Similarity NPC183824
0.7937 Intermediate Similarity NPC35702
0.7937 Intermediate Similarity NPC206095
0.7937 Intermediate Similarity NPC477335
0.7937 Intermediate Similarity NPC297517
0.7937 Intermediate Similarity NPC471027
0.7937 Intermediate Similarity NPC224389
0.7937 Intermediate Similarity NPC13818
0.7925 Intermediate Similarity NPC134969
0.7919 Intermediate Similarity NPC177362
0.7904 Intermediate Similarity NPC469888
0.7901 Intermediate Similarity NPC257025
0.7888 Intermediate Similarity NPC192831
0.7888 Intermediate Similarity NPC258469
0.7888 Intermediate Similarity NPC277315
0.7888 Intermediate Similarity NPC43158
0.7888 Intermediate Similarity NPC285550
0.7888 Intermediate Similarity NPC472016
0.7879 Intermediate Similarity NPC142654
0.7874 Intermediate Similarity NPC280493
0.787 Intermediate Similarity NPC160512
0.787 Intermediate Similarity NPC38779
0.787 Intermediate Similarity NPC68324
0.787 Intermediate Similarity NPC114179
0.787 Intermediate Similarity NPC289322
0.787 Intermediate Similarity NPC156818
0.7866 Intermediate Similarity NPC142528
0.7861 Intermediate Similarity NPC200726
0.7861 Intermediate Similarity NPC175793
0.7857 Intermediate Similarity NPC145425
0.7849 Intermediate Similarity NPC45943
0.7849 Intermediate Similarity NPC67959
0.7849 Intermediate Similarity NPC89131
0.7836 Intermediate Similarity NPC231758
0.7829 Intermediate Similarity NPC470272
0.7824 Intermediate Similarity NPC280680
0.7816 Intermediate Similarity NPC217781
0.7816 Intermediate Similarity NPC261411
0.7816 Intermediate Similarity NPC470271
0.7816 Intermediate Similarity NPC43918
0.7816 Intermediate Similarity NPC190204
0.7816 Intermediate Similarity NPC311389
0.7812 Intermediate Similarity NPC179505
0.7812 Intermediate Similarity NPC156709
0.7811 Intermediate Similarity NPC153512
0.7811 Intermediate Similarity NPC104983
0.7811 Intermediate Similarity NPC88803
0.7811 Intermediate Similarity NPC300845
0.7811 Intermediate Similarity NPC291948
0.7811 Intermediate Similarity NPC318432
0.7811 Intermediate Similarity NPC250436
0.7803 Intermediate Similarity NPC180586
0.7803 Intermediate Similarity NPC162169
0.7803 Intermediate Similarity NPC166851
0.7792 Intermediate Similarity NPC167463
0.7791 Intermediate Similarity NPC14030
0.7791 Intermediate Similarity NPC291957
0.779 Intermediate Similarity NPC226725
0.7784 Intermediate Similarity NPC476370
0.7778 Intermediate Similarity NPC24627
0.7778 Intermediate Similarity NPC24164
0.7778 Intermediate Similarity NPC138993
0.7778 Intermediate Similarity NPC53889
0.7771 Intermediate Similarity NPC221091
0.7771 Intermediate Similarity NPC259576
0.7765 Intermediate Similarity NPC143328
0.7764 Intermediate Similarity NPC477279
0.776 Intermediate Similarity NPC295436
0.7759 Intermediate Similarity NPC49983
0.7759 Intermediate Similarity NPC142707
0.7759 Intermediate Similarity NPC26536
0.7759 Intermediate Similarity NPC317671
0.7758 Intermediate Similarity NPC472969
0.7753 Intermediate Similarity NPC61904
0.7753 Intermediate Similarity NPC296018
0.7753 Intermediate Similarity NPC154741
0.7753 Intermediate Similarity NPC144097
0.7751 Intermediate Similarity NPC472835
0.7751 Intermediate Similarity NPC478133
0.7751 Intermediate Similarity NPC80534
0.7751 Intermediate Similarity NPC56786
0.7751 Intermediate Similarity NPC317585
0.775 Intermediate Similarity NPC24295
0.775 Intermediate Similarity NPC302857
0.775 Intermediate Similarity NPC142703
0.775 Intermediate Similarity NPC152942
0.775 Intermediate Similarity NPC283560
0.775 Intermediate Similarity NPC219428
0.775 Intermediate Similarity NPC37250
0.775 Intermediate Similarity NPC278068
0.7746 Intermediate Similarity NPC291977
0.7746 Intermediate Similarity NPC470898
0.7744 Intermediate Similarity NPC75295
0.7742 Intermediate Similarity NPC208536
0.7742 Intermediate Similarity NPC64111
0.774 Intermediate Similarity NPC476374
0.7738 Intermediate Similarity NPC44730
0.7736 Intermediate Similarity NPC326847
0.7735 Intermediate Similarity NPC154527
0.7733 Intermediate Similarity NPC469889
0.7733 Intermediate Similarity NPC266365
0.7733 Intermediate Similarity NPC216916
0.773 Intermediate Similarity NPC50221
0.773 Intermediate Similarity NPC160378
0.773 Intermediate Similarity NPC121573
0.773 Intermediate Similarity NPC190587
0.773 Intermediate Similarity NPC22176
0.773 Intermediate Similarity NPC114242
0.773 Intermediate Similarity NPC226738
0.7727 Intermediate Similarity NPC472803
0.7727 Intermediate Similarity NPC47521
0.7725 Intermediate Similarity NPC58310
0.7725 Intermediate Similarity NPC300329
0.7725 Intermediate Similarity NPC295977
0.7722 Intermediate Similarity NPC47883
0.7722 Intermediate Similarity NPC475996
0.7719 Intermediate Similarity NPC87317
0.7716 Intermediate Similarity NPC477278
0.7716 Intermediate Similarity NPC477277
0.7714 Intermediate Similarity NPC283041
0.7714 Intermediate Similarity NPC260266

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC322982 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
0.8 Intermediate Similarity NPD6190 Approved
0.7966 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD3764 Approved
0.7811 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7784 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD7685 Pre-registration
0.7588 Intermediate Similarity NPD1465 Phase 2
0.7576 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6166 Phase 2
0.75 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD6232 Discontinued
0.7485 Intermediate Similarity NPD1512 Approved
0.7458 Intermediate Similarity NPD7473 Discontinued
0.7446 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD3817 Phase 2
0.7438 Intermediate Similarity NPD230 Phase 1
0.7403 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD3882 Suspended
0.7394 Intermediate Similarity NPD8166 Discontinued
0.7394 Intermediate Similarity NPD3750 Approved
0.7366 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7365 Intermediate Similarity NPD1511 Approved
0.7356 Intermediate Similarity NPD3749 Approved
0.7337 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD8150 Discontinued
0.7318 Intermediate Similarity NPD3818 Discontinued
0.7293 Intermediate Similarity NPD6797 Phase 2
0.7283 Intermediate Similarity NPD2801 Approved
0.7278 Intermediate Similarity NPD5844 Phase 1
0.7253 Intermediate Similarity NPD7251 Discontinued
0.7251 Intermediate Similarity NPD3226 Approved
0.7241 Intermediate Similarity NPD5402 Approved
0.7232 Intermediate Similarity NPD7199 Phase 2
0.7229 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD6234 Discontinued
0.7213 Intermediate Similarity NPD7808 Phase 3
0.7195 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD7819 Suspended
0.716 Intermediate Similarity NPD943 Approved
0.7159 Intermediate Similarity NPD7075 Discontinued
0.7127 Intermediate Similarity NPD7228 Approved
0.7126 Intermediate Similarity NPD1934 Approved
0.7118 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD4380 Phase 2
0.7091 Intermediate Similarity NPD3748 Approved
0.7088 Intermediate Similarity NPD7054 Approved
0.7083 Intermediate Similarity NPD4628 Phase 3
0.7081 Intermediate Similarity NPD8312 Approved
0.7081 Intermediate Similarity NPD8313 Approved
0.707 Intermediate Similarity NPD9269 Phase 2
0.7069 Intermediate Similarity NPD7411 Suspended
0.7059 Intermediate Similarity NPD8434 Phase 2
0.7049 Intermediate Similarity NPD7472 Approved
0.7049 Intermediate Similarity NPD7074 Phase 3
0.7048 Intermediate Similarity NPD5406 Approved
0.7048 Intermediate Similarity NPD5404 Approved
0.7048 Intermediate Similarity NPD5405 Approved
0.7048 Intermediate Similarity NPD5408 Approved
0.7035 Intermediate Similarity NPD5403 Approved
0.7033 Intermediate Similarity NPD3751 Discontinued
0.7029 Intermediate Similarity NPD6801 Discontinued
0.7018 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7018 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD4967 Phase 2
0.7006 Intermediate Similarity NPD4965 Approved
0.7006 Intermediate Similarity NPD7266 Discontinued
0.7006 Intermediate Similarity NPD4966 Approved
0.7 Intermediate Similarity NPD7236 Approved
0.6995 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6989 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6977 Remote Similarity NPD6273 Approved
0.6966 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6964 Remote Similarity NPD970 Clinical (unspecified phase)
0.6959 Remote Similarity NPD6799 Approved
0.6959 Remote Similarity NPD7390 Discontinued
0.6949 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6959 Discontinued
0.6944 Remote Similarity NPD8127 Discontinued
0.6932 Remote Similarity NPD37 Approved
0.6919 Remote Similarity NPD5401 Approved
0.6914 Remote Similarity NPD6599 Discontinued
0.6906 Remote Similarity NPD3787 Discontinued
0.6904 Remote Similarity NPD7435 Discontinued
0.6897 Remote Similarity NPD7239 Suspended
0.6886 Remote Similarity NPD1510 Phase 2
0.6882 Remote Similarity NPD7003 Approved
0.6871 Remote Similarity NPD7095 Approved
0.6869 Remote Similarity NPD8320 Phase 1
0.6869 Remote Similarity NPD8319 Approved
0.6859 Remote Similarity NPD9545 Approved
0.6848 Remote Similarity NPD7799 Discontinued
0.6845 Remote Similarity NPD2935 Discontinued
0.6842 Remote Similarity NPD2354 Approved
0.6832 Remote Similarity NPD1470 Approved
0.6821 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6821 Remote Similarity NPD2533 Approved
0.6821 Remote Similarity NPD2534 Approved
0.6821 Remote Similarity NPD2532 Approved
0.6816 Remote Similarity NPD7768 Phase 2
0.6815 Remote Similarity NPD9268 Approved
0.6805 Remote Similarity NPD2346 Discontinued
0.6796 Remote Similarity NPD5494 Approved
0.6788 Remote Similarity NPD6233 Phase 2
0.6786 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6782 Remote Similarity NPD7874 Approved
0.6776 Remote Similarity NPD3926 Phase 2
0.6761 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6761 Remote Similarity NPD7458 Discontinued
0.6753 Remote Similarity NPD6535 Approved
0.6753 Remote Similarity NPD6534 Approved
0.6751 Remote Similarity NPD6778 Approved
0.6751 Remote Similarity NPD6776 Approved
0.6751 Remote Similarity NPD6781 Approved
0.6751 Remote Similarity NPD6780 Approved
0.6751 Remote Similarity NPD6782 Approved
0.6751 Remote Similarity NPD6777 Approved
0.6751 Remote Similarity NPD6779 Approved
0.675 Remote Similarity NPD1608 Approved
0.6748 Remote Similarity NPD9494 Approved
0.674 Remote Similarity NPD919 Approved
0.6735 Remote Similarity NPD7700 Phase 2
0.6735 Remote Similarity NPD7699 Phase 2
0.6727 Remote Similarity NPD2313 Discontinued
0.6727 Remote Similarity NPD3268 Approved
0.6727 Remote Similarity NPD6798 Discontinued
0.6723 Remote Similarity NPD7028 Phase 2
0.671 Remote Similarity NPD690 Clinical (unspecified phase)
0.6708 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6706 Remote Similarity NPD2344 Approved
0.6705 Remote Similarity NPD3300 Phase 2
0.6704 Remote Similarity NPD8455 Phase 2
0.6702 Remote Similarity NPD6764 Approved
0.6702 Remote Similarity NPD6765 Approved
0.6702 Remote Similarity NPD7240 Approved
0.67 Remote Similarity NPD7870 Phase 2
0.67 Remote Similarity NPD7871 Phase 2
0.6687 Remote Similarity NPD1201 Approved
0.6687 Remote Similarity NPD6663 Approved
0.6686 Remote Similarity NPD2799 Discontinued
0.6685 Remote Similarity NPD6386 Approved
0.6685 Remote Similarity NPD6385 Approved
0.6667 Remote Similarity NPD3455 Phase 2
0.6667 Remote Similarity NPD1876 Approved
0.6667 Remote Similarity NPD1549 Phase 2
0.6667 Remote Similarity NPD1247 Approved
0.6667 Remote Similarity NPD3225 Approved
0.665 Remote Similarity NPD7698 Approved
0.665 Remote Similarity NPD7696 Phase 3
0.665 Remote Similarity NPD8151 Discontinued
0.665 Remote Similarity NPD7697 Approved
0.6647 Remote Similarity NPD1240 Approved
0.6647 Remote Similarity NPD4060 Phase 1
0.663 Remote Similarity NPD7058 Phase 2
0.663 Remote Similarity NPD7057 Phase 3
0.6614 Remote Similarity NPD6559 Discontinued
0.6608 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6608 Remote Similarity NPD2355 Clinical (unspecified phase)
0.6608 Remote Similarity NPD2353 Approved
0.6608 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6608 Remote Similarity NPD1471 Phase 3
0.6607 Remote Similarity NPD447 Suspended
0.6607 Remote Similarity NPD6355 Discontinued
0.6601 Remote Similarity NPD7701 Phase 2
0.6599 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6595 Remote Similarity NPD5242 Approved
0.6588 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4308 Phase 3
0.6587 Remote Similarity NPD8032 Phase 2
0.6585 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6578 Remote Similarity NPD7177 Discontinued
0.6575 Remote Similarity NPD5978 Approved
0.6575 Remote Similarity NPD5977 Approved
0.6575 Remote Similarity NPD4288 Approved
0.6568 Remote Similarity NPD1607 Approved
0.6567 Remote Similarity NPD7680 Approved
0.6567 Remote Similarity NPD7497 Discontinued
0.6562 Remote Similarity NPD3019 Approved
0.6562 Remote Similarity NPD17 Approved
0.6562 Remote Similarity NPD6785 Approved
0.6562 Remote Similarity NPD6784 Approved
0.6552 Remote Similarity NPD3887 Approved
0.6552 Remote Similarity NPD2309 Approved
0.655 Remote Similarity NPD2796 Approved
0.6546 Remote Similarity NPD4287 Approved
0.6545 Remote Similarity NPD5736 Approved
0.6541 Remote Similarity NPD7229 Phase 3
0.654 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6524 Remote Similarity NPD2797 Approved
0.6519 Remote Similarity NPD5761 Phase 2
0.6519 Remote Similarity NPD5760 Phase 2
0.6512 Remote Similarity NPD5762 Approved
0.6512 Remote Similarity NPD5763 Approved
0.651 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6506 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6505 Remote Similarity NPD7782 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11444732
ChEMBL   CHEMBL391772
ZINC  

Physicochemical Properties

Molecular Weight:  594.08
ALogP:  -3.1461
MLogP:  3.66
XLogP:  2.554
# Rotatable Bonds:  9
Polar Surface Area:  200.28
# H-Bond Aceptor:  6
# H-Bond Donor:  6
# Rings:  7
# Heavy Atoms:  44

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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