Natural Product: NPC477960

Natural Product ID:  NPC477960
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C24H28O9
Standard InCHIKey:  JJQRYVJZLKYSFP-DEOSSOPVSA-N
Standard InCHI:  InChI=1S/C24H28O9/c1-11-13-9-32-24(23(25)15(13)19(28-5)21(30-7)17(11)26-3)16-14(10-33-24)12(2)18(27-4)22(31-8)20(16)29-6/h9-10H2,1-8H3/t24-/m0/s1
Canonical SMILES:  COc1c(OC)c(C)c2c(c1OC)C(=O)[C@@]1(OC2)OCc2c1c(OC)c(c(c2C)OC)OC
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
NPO33576 Spicaria elegans KLA03 Species NA NA PMID[24967847]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT111 Cell Line K562 Homo sapiens IC50 > 50000 nM 24967847
NPT2 Others Unspecified IC50 > 50000 nM 24967847
NPT1453 Organism Influenza A virus (A/PR/8/34(H1N1)) Influenza A virus (A/Puerto Rico/8/1934(H1N1)) IC50 = 149000 nM 24967847

  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 NPC477960 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 NPC477961
1.0 High Similarity NPC477962
0.8954 High Similarity NPC38469
0.8782 High Similarity NPC155063
0.8782 High Similarity NPC301897
0.8718 High Similarity NPC478238
0.8712 High Similarity NPC471688
0.871 High Similarity NPC52623
0.8671 High Similarity NPC238405
0.8671 High Similarity NPC104459
0.8671 High Similarity NPC257914
0.8654 High Similarity NPC57211
0.8654 High Similarity NPC473664
0.8645 High Similarity NPC279061
0.8625 High Similarity NPC302741
0.8608 High Similarity NPC258644
0.8599 High Similarity NPC284353
0.858 High Similarity NPC113093
0.8562 High Similarity NPC34376
0.8562 High Similarity NPC65746
0.8535 High Similarity NPC478213
0.8535 High Similarity NPC279930
0.8509 High Similarity NPC273021
0.8509 High Similarity NPC18284
0.8509 High Similarity NPC475144
0.8509 High Similarity NPC125991
0.85 High Similarity NPC131557
0.8491 Intermediate Similarity NPC310206
0.8481 Intermediate Similarity NPC471746
0.8471 Intermediate Similarity NPC68882
0.8471 Intermediate Similarity NPC153008
0.8471 Intermediate Similarity NPC148497
0.8471 Intermediate Similarity NPC475116
0.8471 Intermediate Similarity NPC20337
0.8457 Intermediate Similarity NPC208120
0.8457 Intermediate Similarity NPC173587
0.8452 Intermediate Similarity NPC476058
0.8452 Intermediate Similarity NPC476342
0.8447 Intermediate Similarity NPC474239
0.8447 Intermediate Similarity NPC209411
0.8447 Intermediate Similarity NPC239890
0.8443 Intermediate Similarity NPC156635
0.8438 Intermediate Similarity NPC113055
0.8438 Intermediate Similarity NPC325122
0.8421 Intermediate Similarity NPC174486
0.8418 Intermediate Similarity NPC244371
0.8415 Intermediate Similarity NPC150131
0.8415 Intermediate Similarity NPC471180
0.8408 Intermediate Similarity NPC220577
0.8408 Intermediate Similarity NPC104353
0.8408 Intermediate Similarity NPC473732
0.8405 Intermediate Similarity NPC146584
0.8405 Intermediate Similarity NPC21016
0.8405 Intermediate Similarity NPC326520
0.8397 Intermediate Similarity NPC181250
0.8395 Intermediate Similarity NPC61141
0.8395 Intermediate Similarity NPC478199
0.8395 Intermediate Similarity NPC469575
0.8395 Intermediate Similarity NPC474763
0.8393 Intermediate Similarity NPC67302
0.8387 Intermediate Similarity NPC117463
0.8385 Intermediate Similarity NPC475886
0.8385 Intermediate Similarity NPC298093
0.8385 Intermediate Similarity NPC474287
0.8383 Intermediate Similarity NPC108202
0.8383 Intermediate Similarity NPC146803
0.8377 Intermediate Similarity NPC224687
0.8377 Intermediate Similarity NPC296575
0.8375 Intermediate Similarity NPC217677
0.8375 Intermediate Similarity NPC165977
0.8373 Intermediate Similarity NPC475825
0.8373 Intermediate Similarity NPC223375
0.8366 Intermediate Similarity NPC476054
0.8364 Intermediate Similarity NPC242395
0.8354 Intermediate Similarity NPC170245
0.8354 Intermediate Similarity NPC292460
0.8344 Intermediate Similarity NPC474350
0.8344 Intermediate Similarity NPC216917
0.8344 Intermediate Similarity NPC259058
0.8344 Intermediate Similarity NPC201547
0.8344 Intermediate Similarity NPC474240
0.8344 Intermediate Similarity NPC41301
0.8343 Intermediate Similarity NPC244903
0.8333 Intermediate Similarity NPC474186
0.8333 Intermediate Similarity NPC474351
0.8333 Intermediate Similarity NPC475883
0.8333 Intermediate Similarity NPC474187
0.8323 Intermediate Similarity NPC470336
0.8323 Intermediate Similarity NPC474568
0.8323 Intermediate Similarity NPC474043
0.8323 Intermediate Similarity NPC310259
0.8323 Intermediate Similarity NPC470335
0.8323 Intermediate Similarity NPC62640
0.8323 Intermediate Similarity NPC315157
0.8323 Intermediate Similarity NPC125713
0.8313 Intermediate Similarity NPC72249
0.8312 Intermediate Similarity NPC182842
0.8312 Intermediate Similarity NPC27106
0.8303 Intermediate Similarity NPC76482
0.8303 Intermediate Similarity NPC232936
0.8293 Intermediate Similarity NPC187923
0.8293 Intermediate Similarity NPC475888
0.8293 Intermediate Similarity NPC327652
0.8291 Intermediate Similarity NPC474170
0.8291 Intermediate Similarity NPC474388
0.8291 Intermediate Similarity NPC472535
0.8291 Intermediate Similarity NPC474414
0.8286 Intermediate Similarity NPC314020
0.8284 Intermediate Similarity NPC168584
0.8282 Intermediate Similarity NPC108767
0.8282 Intermediate Similarity NPC211107
0.8282 Intermediate Similarity NPC215612
0.828 Intermediate Similarity NPC69752
0.828 Intermediate Similarity NPC238366
0.8272 Intermediate Similarity NPC78944
0.8272 Intermediate Similarity NPC36217
0.8272 Intermediate Similarity NPC56085
0.8272 Intermediate Similarity NPC299436
0.8272 Intermediate Similarity NPC470358
0.8272 Intermediate Similarity NPC65784
0.8272 Intermediate Similarity NPC14353
0.8272 Intermediate Similarity NPC470326
0.8272 Intermediate Similarity NPC269906
0.8272 Intermediate Similarity NPC228785
0.8269 Intermediate Similarity NPC474999
0.8269 Intermediate Similarity NPC299923
0.8269 Intermediate Similarity NPC470511
0.8263 Intermediate Similarity NPC121333
0.8263 Intermediate Similarity NPC471181
0.8261 Intermediate Similarity NPC19097
0.8261 Intermediate Similarity NPC167595
0.8258 Intermediate Similarity NPC87295
0.8258 Intermediate Similarity NPC165512
0.8253 Intermediate Similarity NPC213416
0.8253 Intermediate Similarity NPC152477
0.8253 Intermediate Similarity NPC473202
0.8253 Intermediate Similarity NPC476771
0.825 Intermediate Similarity NPC276059
0.825 Intermediate Similarity NPC122623
0.825 Intermediate Similarity NPC34725
0.825 Intermediate Similarity NPC241774
0.825 Intermediate Similarity NPC16286
0.8242 Intermediate Similarity NPC475214
0.8242 Intermediate Similarity NPC472895
0.8242 Intermediate Similarity NPC472452
0.8242 Intermediate Similarity NPC298071
0.8242 Intermediate Similarity NPC477517
0.8242 Intermediate Similarity NPC329119
0.8239 Intermediate Similarity NPC40033
0.8239 Intermediate Similarity NPC166201
0.8235 Intermediate Similarity NPC212290
0.8232 Intermediate Similarity NPC197168
0.8232 Intermediate Similarity NPC18100
0.8232 Intermediate Similarity NPC273959
0.8232 Intermediate Similarity NPC205265
0.8232 Intermediate Similarity NPC472281
0.8232 Intermediate Similarity NPC470459
0.8232 Intermediate Similarity NPC7483
0.8232 Intermediate Similarity NPC475985
0.8228 Intermediate Similarity NPC29056
0.8228 Intermediate Similarity NPC234152
0.8228 Intermediate Similarity NPC477676
0.8228 Intermediate Similarity NPC177839
0.8221 Intermediate Similarity NPC94155
0.8221 Intermediate Similarity NPC278052
0.8221 Intermediate Similarity NPC471499
0.8221 Intermediate Similarity NPC474779
0.8221 Intermediate Similarity NPC40491
0.8221 Intermediate Similarity NPC61010
0.8217 Intermediate Similarity NPC63256
0.8217 Intermediate Similarity NPC183236
0.8217 Intermediate Similarity NPC10304
0.821 Intermediate Similarity NPC215375
0.821 Intermediate Similarity NPC250076
0.821 Intermediate Similarity NPC62518
0.821 Intermediate Similarity NPC100123
0.8205 Intermediate Similarity NPC283002
0.8205 Intermediate Similarity NPC120924
0.8205 Intermediate Similarity NPC302408
0.8205 Intermediate Similarity NPC195919
0.8205 Intermediate Similarity NPC216314
0.8204 Intermediate Similarity NPC212748
0.8204 Intermediate Similarity NPC477670
0.8204 Intermediate Similarity NPC279209
0.8204 Intermediate Similarity NPC102277
0.8199 Intermediate Similarity NPC474983
0.8199 Intermediate Similarity NPC303255
0.8199 Intermediate Similarity NPC257277
0.8199 Intermediate Similarity NPC477380
0.8199 Intermediate Similarity NPC150227
0.8194 Intermediate Similarity NPC293201
0.8194 Intermediate Similarity NPC470932
0.8193 Intermediate Similarity NPC149244
0.8193 Intermediate Similarity NPC265530
0.8193 Intermediate Similarity NPC477502
0.8193 Intermediate Similarity NPC226304
0.8193 Intermediate Similarity NPC48640
0.8193 Intermediate Similarity NPC325555
0.8193 Intermediate Similarity NPC42892
0.8193 Intermediate Similarity NPC474948

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477960 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
0.8385 Intermediate Similarity NPD5494 Approved
0.825 Intermediate Similarity NPD3817 Phase 2
0.8086 Intermediate Similarity NPD3882 Suspended
0.8084 Intermediate Similarity NPD3818 Discontinued
0.8061 Intermediate Similarity NPD6232 Discontinued
0.8038 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8025 Intermediate Similarity NPD2532 Approved
0.8025 Intermediate Similarity NPD2534 Approved
0.8025 Intermediate Similarity NPD2533 Approved
0.8024 Intermediate Similarity NPD7473 Discontinued
0.8 Intermediate Similarity NPD1247 Approved
0.7988 Intermediate Similarity NPD919 Approved
0.7963 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7963 Intermediate Similarity NPD7819 Suspended
0.7953 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD7808 Phase 3
0.7941 Intermediate Similarity NPD6797 Phase 2
0.7904 Intermediate Similarity NPD3926 Phase 2
0.7901 Intermediate Similarity NPD1934 Approved
0.7895 Intermediate Similarity NPD7251 Discontinued
0.7882 Intermediate Similarity NPD7074 Phase 3
0.7857 Intermediate Similarity NPD6166 Phase 2
0.7857 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7824 Intermediate Similarity NPD7054 Approved
0.7818 Intermediate Similarity NPD7075 Discontinued
0.7798 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6801 Discontinued
0.7791 Intermediate Similarity NPD37 Approved
0.7778 Intermediate Similarity NPD7472 Approved
0.7758 Intermediate Similarity NPD4965 Approved
0.7758 Intermediate Similarity NPD4967 Phase 2
0.7758 Intermediate Similarity NPD4966 Approved
0.7744 Intermediate Similarity NPD2801 Approved
0.7688 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD6959 Discontinued
0.7669 Intermediate Similarity NPD4380 Phase 2
0.7665 Intermediate Similarity NPD6234 Discontinued
0.7625 Intermediate Similarity NPD6799 Approved
0.7616 Intermediate Similarity NPD5844 Phase 1
0.7605 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7598 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7595 Intermediate Similarity NPD2800 Approved
0.7586 Intermediate Similarity NPD6559 Discontinued
0.7574 Intermediate Similarity NPD7199 Phase 2
0.7561 Intermediate Similarity NPD6599 Discontinued
0.7545 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7531 Intermediate Similarity NPD1512 Approved
0.753 Intermediate Similarity NPD1465 Phase 2
0.7529 Intermediate Similarity NPD5711 Approved
0.7529 Intermediate Similarity NPD5710 Approved
0.7516 Intermediate Similarity NPD2796 Approved
0.7514 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD920 Approved
0.7457 Intermediate Similarity NPD7228 Approved
0.7436 Intermediate Similarity NPD6651 Approved
0.7427 Intermediate Similarity NPD3787 Discontinued
0.741 Intermediate Similarity NPD7411 Suspended
0.7407 Intermediate Similarity NPD1511 Approved
0.7389 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD5402 Approved
0.7381 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD3751 Discontinued
0.7353 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD7240 Approved
0.7267 Intermediate Similarity NPD1243 Approved
0.7261 Intermediate Similarity NPD1933 Approved
0.7256 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2403 Approved
0.7234 Intermediate Similarity NPD5005 Approved
0.7234 Intermediate Similarity NPD5006 Approved
0.7233 Intermediate Similarity NPD1510 Phase 2
0.7219 Intermediate Similarity NPD6777 Approved
0.7219 Intermediate Similarity NPD6780 Approved
0.7219 Intermediate Similarity NPD6776 Approved
0.7219 Intermediate Similarity NPD6781 Approved
0.7219 Intermediate Similarity NPD6779 Approved
0.7219 Intermediate Similarity NPD6782 Approved
0.7219 Intermediate Similarity NPD6778 Approved
0.7205 Intermediate Similarity NPD1549 Phase 2
0.7196 Intermediate Similarity NPD7435 Discontinued
0.7193 Intermediate Similarity NPD3749 Approved
0.7169 Intermediate Similarity NPD5403 Approved
0.7152 Intermediate Similarity NPD5401 Approved
0.7143 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2346 Discontinued
0.7134 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7128 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD3748 Approved
0.7112 Intermediate Similarity NPD4420 Approved
0.7105 Intermediate Similarity NPD7696 Phase 3
0.7105 Intermediate Similarity NPD7698 Approved
0.7105 Intermediate Similarity NPD7697 Approved
0.7098 Intermediate Similarity NPD8151 Discontinued
0.7089 Intermediate Similarity NPD1240 Approved
0.7086 Intermediate Similarity NPD5242 Approved
0.7083 Intermediate Similarity NPD3226 Approved
0.7068 Intermediate Similarity NPD7871 Phase 2
0.7068 Intermediate Similarity NPD7870 Phase 2
0.7043 Intermediate Similarity NPD6535 Approved
0.7043 Intermediate Similarity NPD6534 Approved
0.7039 Intermediate Similarity NPD3705 Approved
0.7037 Intermediate Similarity NPD1471 Phase 3
0.7019 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7017 Intermediate Similarity NPD8313 Approved
0.7017 Intermediate Similarity NPD8312 Approved
0.7 Intermediate Similarity NPD1607 Approved
0.6988 Remote Similarity NPD7390 Discontinued
0.6977 Remote Similarity NPD5353 Approved
0.6975 Remote Similarity NPD2935 Discontinued
0.6974 Remote Similarity NPD7874 Approved
0.6974 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6962 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6959 Remote Similarity NPD7701 Phase 2
0.6951 Remote Similarity NPD6674 Discontinued
0.6936 Remote Similarity NPD7768 Phase 2
0.6932 Remote Similarity NPD7229 Phase 3
0.6931 Remote Similarity NPD7700 Phase 2
0.6931 Remote Similarity NPD7699 Phase 2
0.6914 Remote Similarity NPD651 Clinical (unspecified phase)
0.6909 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6909 Remote Similarity NPD3750 Approved
0.6906 Remote Similarity NPD7685 Pre-registration
0.6902 Remote Similarity NPD8434 Phase 2
0.6902 Remote Similarity NPD8150 Discontinued
0.6875 Remote Similarity NPD943 Approved
0.6853 Remote Similarity NPD7801 Approved
0.6848 Remote Similarity NPD2654 Approved
0.6848 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6832 Remote Similarity NPD230 Phase 1
0.6815 Remote Similarity NPD2798 Approved
0.681 Remote Similarity NPD2799 Discontinued
0.6804 Remote Similarity NPD8320 Phase 1
0.6804 Remote Similarity NPD8319 Approved
0.6802 Remote Similarity NPD6386 Approved
0.6802 Remote Similarity NPD6385 Approved
0.6793 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6788 Remote Similarity NPD6823 Phase 2
0.6784 Remote Similarity NPD7458 Discontinued
0.6776 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6766 Remote Similarity NPD6190 Approved
0.6758 Remote Similarity NPD5953 Discontinued
0.675 Remote Similarity NPD2313 Discontinued
0.675 Remote Similarity NPD6859 Clinical (unspecified phase)
0.674 Remote Similarity NPD7286 Phase 2
0.673 Remote Similarity NPD6832 Phase 2
0.6728 Remote Similarity NPD447 Suspended
0.6719 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6716 Remote Similarity NPD8366 Approved
0.6686 Remote Similarity NPD5978 Approved
0.6686 Remote Similarity NPD5977 Approved
0.6684 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6683 Remote Similarity NPD7783 Phase 2
0.6683 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6099 Approved
0.6667 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2438 Suspended
0.6667 Remote Similarity NPD6100 Approved
0.6647 Remote Similarity NPD7028 Phase 2
0.6634 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6632 Remote Similarity NPD6213 Phase 3
0.6632 Remote Similarity NPD6212 Phase 3
0.6632 Remote Similarity NPD8285 Discontinued
0.6632 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6629 Remote Similarity NPD8455 Phase 2
0.6628 Remote Similarity NPD1653 Approved
0.6627 Remote Similarity NPD2344 Approved
0.6626 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6615 Remote Similarity NPD2974 Approved
0.6615 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6615 Remote Similarity NPD2975 Approved
0.6615 Remote Similarity NPD2973 Approved
0.6607 Remote Similarity NPD4628 Phase 3
0.6603 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6593 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6587 Remote Similarity NPD8491 Approved
0.6584 Remote Similarity NPD7930 Approved
0.6584 Remote Similarity NPD3027 Phase 3
0.6582 Remote Similarity NPD7680 Approved
0.6566 Remote Similarity NPD1551 Phase 2
0.6566 Remote Similarity NPD7584 Approved
0.6564 Remote Similarity NPD2979 Phase 3
0.6564 Remote Similarity NPD1613 Approved
0.6564 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6564 Remote Similarity NPD4060 Phase 1
0.6562 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6562 Remote Similarity NPD3018 Phase 2
0.6559 Remote Similarity NPD2971 Approved
0.6559 Remote Similarity NPD2968 Approved
0.6554 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6527 Remote Similarity NPD2343 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3314801
ZINC  

Physicochemical Properties

Molecular Weight:  460.17
ALogP:  0.4444
MLogP:  3.11
XLogP:  0.31
# Rotatable Bonds:  14
Polar Surface Area:  90.91
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs