Natural Product: NPC326801

Natural Product ID:  NPC326801
Common Name:   3-Benzylchroman
IUPAC Name:   3-benzyl-3,4-dihydro-2H-chromene
Synonyms:   3-Benzylchroman
Molecular Formula:   C16H16O
Standard InCHIKey:  FAZPXZSNQNWJAW-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H16O/c1-2-6-13(7-3-1)10-14-11-15-8-4-5-9-16(15)17-12-14/h1-9,14H,10-12H2
Canonical SMILES:  c1ccc(cc1)CC1COc2c(C1)cccc2
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
NPO495 Daemonorops draco Species Arecaceae Eukaryota TCM_Taiwan*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2517 Organism Human rhinovirus 1B Human rhinovirus 1B IC50 = 230 nM 19398344
NPT1832 Organism Human rhinovirus 14 Human rhinovirus 14 IC50 = 25000 nM 19398344
NPT2517 Organism Human rhinovirus 1B Human rhinovirus 1B Inhibition = 50 % 19398344
NPT1832 Organism Human rhinovirus 14 Human rhinovirus 14 Inhibition = 41.4 % 19398344

  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 NPC326801 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
0.9118 High Similarity NPC475269
0.89 High Similarity NPC95755
0.8661 High Similarity NPC172253
0.8661 High Similarity NPC59561
0.8596 High Similarity NPC54972
0.8447 Intermediate Similarity NPC471576
0.8396 Intermediate Similarity NPC470393
0.8381 Intermediate Similarity NPC24327
0.8381 Intermediate Similarity NPC12870
0.8376 Intermediate Similarity NPC294156
0.8376 Intermediate Similarity NPC256015
0.8362 Intermediate Similarity NPC36016
0.8362 Intermediate Similarity NPC100099
0.835 Intermediate Similarity NPC470161
0.8318 Intermediate Similarity NPC113457
0.8302 Intermediate Similarity NPC108875
0.8302 Intermediate Similarity NPC38079
0.8291 Intermediate Similarity NPC76465
0.8291 Intermediate Similarity NPC38761
0.8286 Intermediate Similarity NPC300166
0.8276 Intermediate Similarity NPC475839
0.8276 Intermediate Similarity NPC193364
0.8261 Intermediate Similarity NPC8283
0.8261 Intermediate Similarity NPC93398
0.8261 Intermediate Similarity NPC258979
0.8257 Intermediate Similarity NPC474272
0.8235 Intermediate Similarity NPC50315
0.8235 Intermediate Similarity NPC230479
0.8235 Intermediate Similarity NPC26879
0.8235 Intermediate Similarity NPC283049
0.8224 Intermediate Similarity NPC473855
0.822 Intermediate Similarity NPC246648
0.822 Intermediate Similarity NPC134195
0.822 Intermediate Similarity NPC197351
0.822 Intermediate Similarity NPC86502
0.822 Intermediate Similarity NPC106914
0.8218 Intermediate Similarity NPC321956
0.8208 Intermediate Similarity NPC192596
0.8205 Intermediate Similarity NPC188997
0.8205 Intermediate Similarity NPC150026
0.819 Intermediate Similarity NPC212559
0.8174 Intermediate Similarity NPC295259
0.8174 Intermediate Similarity NPC51341
0.8165 Intermediate Similarity NPC201959
0.8158 Intermediate Similarity NPC25648
0.8151 Intermediate Similarity NPC102540
0.8151 Intermediate Similarity NPC285040
0.8151 Intermediate Similarity NPC188022
0.8151 Intermediate Similarity NPC17809
0.8151 Intermediate Similarity NPC103420
0.8136 Intermediate Similarity NPC261992
0.8125 Intermediate Similarity NPC35344
0.8125 Intermediate Similarity NPC141003
0.812 Intermediate Similarity NPC314329
0.8119 Intermediate Similarity NPC71853
0.8113 Intermediate Similarity NPC51633
0.8103 Intermediate Similarity NPC474131
0.8099 Intermediate Similarity NPC53986
0.8099 Intermediate Similarity NPC38664
0.8091 Intermediate Similarity NPC149545
0.8087 Intermediate Similarity NPC74821
0.8087 Intermediate Similarity NPC283616
0.8083 Intermediate Similarity NPC276212
0.8073 Intermediate Similarity NPC194034
0.807 Intermediate Similarity NPC312105
0.8061 Intermediate Similarity NPC125306
0.8058 Intermediate Similarity NPC471581
0.8036 Intermediate Similarity NPC280760
0.8033 Intermediate Similarity NPC93962
0.802 Intermediate Similarity NPC259134
0.802 Intermediate Similarity NPC99886
0.802 Intermediate Similarity NPC177844
0.802 Intermediate Similarity NPC8002
0.8018 Intermediate Similarity NPC2682
0.8018 Intermediate Similarity NPC475852
0.8017 Intermediate Similarity NPC149796
0.8017 Intermediate Similarity NPC32152
0.8017 Intermediate Similarity NPC35744
0.8 Intermediate Similarity NPC81641
0.8 Intermediate Similarity NPC75440
0.8 Intermediate Similarity NPC187993
0.8 Intermediate Similarity NPC238176
0.7982 Intermediate Similarity NPC283169
0.7982 Intermediate Similarity NPC301321
0.7982 Intermediate Similarity NPC30416
0.7982 Intermediate Similarity NPC47194
0.7965 Intermediate Similarity NPC165106
0.7965 Intermediate Similarity NPC90903
0.7963 Intermediate Similarity NPC241224
0.7951 Intermediate Similarity NPC87224
0.7951 Intermediate Similarity NPC47283
0.7951 Intermediate Similarity NPC39064
0.7951 Intermediate Similarity NPC222572
0.7951 Intermediate Similarity NPC274717
0.7951 Intermediate Similarity NPC31707
0.7949 Intermediate Similarity NPC232295
0.7946 Intermediate Similarity NPC470723
0.7946 Intermediate Similarity NPC266932
0.7946 Intermediate Similarity NPC233238
0.7944 Intermediate Similarity NPC84325
0.7934 Intermediate Similarity NPC262573
0.7934 Intermediate Similarity NPC471215
0.7928 Intermediate Similarity NPC265211
0.7928 Intermediate Similarity NPC306045
0.7925 Intermediate Similarity NPC100870
0.7917 Intermediate Similarity NPC61685
0.7917 Intermediate Similarity NPC248557
0.7913 Intermediate Similarity NPC54507
0.7913 Intermediate Similarity NPC81067
0.7913 Intermediate Similarity NPC9341
0.7913 Intermediate Similarity NPC229147
0.7913 Intermediate Similarity NPC85292
0.7913 Intermediate Similarity NPC69539
0.7909 Intermediate Similarity NPC151530
0.7909 Intermediate Similarity NPC157473
0.7903 Intermediate Similarity NPC12875
0.7903 Intermediate Similarity NPC118114
0.7903 Intermediate Similarity NPC207892
0.7903 Intermediate Similarity NPC129784
0.7903 Intermediate Similarity NPC228369
0.7903 Intermediate Similarity NPC129106
0.7903 Intermediate Similarity NPC164804
0.7903 Intermediate Similarity NPC196765
0.7903 Intermediate Similarity NPC211413
0.7903 Intermediate Similarity NPC476166
0.7903 Intermediate Similarity NPC268917
0.7903 Intermediate Similarity NPC244888
0.7903 Intermediate Similarity NPC293203
0.7903 Intermediate Similarity NPC236014
0.7903 Intermediate Similarity NPC68205
0.7903 Intermediate Similarity NPC300875
0.7903 Intermediate Similarity NPC118683
0.7903 Intermediate Similarity NPC280653
0.7903 Intermediate Similarity NPC17343
0.7903 Intermediate Similarity NPC150011
0.7903 Intermediate Similarity NPC206224
0.7903 Intermediate Similarity NPC164574
0.7895 Intermediate Similarity NPC161696
0.789 Intermediate Similarity NPC8302
0.789 Intermediate Similarity NPC139891
0.7881 Intermediate Similarity NPC322569
0.7876 Intermediate Similarity NPC42911
0.7876 Intermediate Similarity NPC153795
0.7876 Intermediate Similarity NPC474920
0.7876 Intermediate Similarity NPC290353
0.7869 Intermediate Similarity NPC98745
0.7863 Intermediate Similarity NPC54243
0.7863 Intermediate Similarity NPC98748
0.7863 Intermediate Similarity NPC234956
0.7857 Intermediate Similarity NPC473809
0.7857 Intermediate Similarity NPC106141
0.7851 Intermediate Similarity NPC207179
0.7851 Intermediate Similarity NPC278552
0.7851 Intermediate Similarity NPC167571
0.7845 Intermediate Similarity NPC69261
0.7845 Intermediate Similarity NPC33270
0.784 Intermediate Similarity NPC13005
0.7833 Intermediate Similarity NPC255253
0.7833 Intermediate Similarity NPC315807
0.7826 Intermediate Similarity NPC464
0.7826 Intermediate Similarity NPC185541
0.7826 Intermediate Similarity NPC808
0.7826 Intermediate Similarity NPC475815
0.7826 Intermediate Similarity NPC51345
0.7826 Intermediate Similarity NPC473718
0.7826 Intermediate Similarity NPC473264
0.7823 Intermediate Similarity NPC470225
0.7823 Intermediate Similarity NPC27187
0.7823 Intermediate Similarity NPC473048
0.7818 Intermediate Similarity NPC176971
0.7818 Intermediate Similarity NPC135464
0.7818 Intermediate Similarity NPC92623
0.7818 Intermediate Similarity NPC326447
0.7815 Intermediate Similarity NPC190454
0.7815 Intermediate Similarity NPC127389
0.7815 Intermediate Similarity NPC97432
0.7815 Intermediate Similarity NPC290451
0.7798 Intermediate Similarity NPC283546
0.7797 Intermediate Similarity NPC168050
0.7787 Intermediate Similarity NPC128321
0.7778 Intermediate Similarity NPC190514
0.7778 Intermediate Similarity NPC77196
0.7778 Intermediate Similarity NPC131118
0.7778 Intermediate Similarity NPC474040
0.7778 Intermediate Similarity NPC307425
0.7778 Intermediate Similarity NPC32298
0.776 Intermediate Similarity NPC153019
0.776 Intermediate Similarity NPC181497
0.776 Intermediate Similarity NPC103799
0.776 Intermediate Similarity NPC284232
0.776 Intermediate Similarity NPC271945
0.776 Intermediate Similarity NPC472590
0.776 Intermediate Similarity NPC162801
0.7759 Intermediate Similarity NPC33900
0.7759 Intermediate Similarity NPC150624
0.775 Intermediate Similarity NPC46586
0.775 Intermediate Similarity NPC476332
0.775 Intermediate Similarity NPC473464
0.775 Intermediate Similarity NPC204535
0.775 Intermediate Similarity NPC152946

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC326801 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
0.8636 High Similarity NPD2557 Approved
0.8364 Intermediate Similarity NPD5535 Approved
0.8333 Intermediate Similarity NPD3049 Approved
0.8333 Intermediate Similarity NPD3445 Approved
0.8333 Intermediate Similarity NPD2684 Approved
0.8333 Intermediate Similarity NPD3444 Approved
0.8333 Intermediate Similarity NPD3443 Approved
0.8318 Intermediate Similarity NPD968 Approved
0.8276 Intermediate Similarity NPD1610 Phase 2
0.8257 Intermediate Similarity NPD5451 Approved
0.8246 Intermediate Similarity NPD6581 Approved
0.8246 Intermediate Similarity NPD6580 Approved
0.823 Intermediate Similarity NPD3596 Phase 2
0.8174 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.8167 Intermediate Similarity NPD2861 Phase 2
0.8142 Intermediate Similarity NPD6671 Approved
0.812 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.8103 Intermediate Similarity NPD6516 Phase 2
0.8103 Intermediate Similarity NPD2554 Approved
0.8103 Intermediate Similarity NPD2556 Approved
0.8103 Intermediate Similarity NPD5846 Approved
0.8099 Intermediate Similarity NPD4908 Phase 1
0.8087 Intermediate Similarity NPD1548 Phase 1
0.8073 Intermediate Similarity NPD290 Approved
0.8036 Intermediate Similarity NPD7843 Approved
0.8017 Intermediate Similarity NPD6382 Discontinued
0.8 Intermediate Similarity NPD4098 Discontinued
0.7967 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7965 Intermediate Similarity NPD5283 Phase 1
0.7931 Intermediate Similarity NPD2486 Discontinued
0.789 Intermediate Similarity NPD9697 Approved
0.7863 Intermediate Similarity NPD5585 Approved
0.7851 Intermediate Similarity NPD2797 Approved
0.7833 Intermediate Similarity NPD6542 Approved
0.7833 Intermediate Similarity NPD6543 Approved
0.7833 Intermediate Similarity NPD5327 Phase 3
0.7833 Intermediate Similarity NPD6539 Approved
0.7833 Intermediate Similarity NPD6583 Phase 3
0.7833 Intermediate Similarity NPD6540 Phase 3
0.7833 Intermediate Similarity NPD6582 Phase 2
0.7826 Intermediate Similarity NPD6387 Discontinued
0.7826 Intermediate Similarity NPD7157 Approved
0.7818 Intermediate Similarity NPD3134 Approved
0.7807 Intermediate Similarity NPD592 Approved
0.7807 Intermediate Similarity NPD594 Approved
0.7778 Intermediate Similarity NPD4618 Approved
0.7778 Intermediate Similarity NPD4622 Approved
0.7769 Intermediate Similarity NPD6538 Approved
0.7769 Intermediate Similarity NPD6541 Approved
0.7769 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7731 Intermediate Similarity NPD3294 Phase 2
0.7719 Intermediate Similarity NPD821 Approved
0.7705 Intermediate Similarity NPD3267 Approved
0.7705 Intermediate Similarity NPD3266 Approved
0.7686 Intermediate Similarity NPD4749 Approved
0.768 Intermediate Similarity NPD6798 Discontinued
0.7656 Intermediate Similarity NPD5689 Approved
0.7656 Intermediate Similarity NPD5688 Approved
0.7652 Intermediate Similarity NPD1241 Discontinued
0.7642 Intermediate Similarity NPD6584 Phase 3
0.7642 Intermediate Similarity NPD7018 Phase 2
0.7632 Intermediate Similarity NPD1137 Approved
0.7632 Intermediate Similarity NPD1139 Approved
0.7627 Intermediate Similarity NPD1894 Discontinued
0.7619 Intermediate Similarity NPD7477 Discontinued
0.7603 Intermediate Similarity NPD2231 Phase 2
0.7603 Intermediate Similarity NPD2235 Phase 2
0.76 Intermediate Similarity NPD4625 Phase 3
0.7597 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7583 Intermediate Similarity NPD3496 Discontinued
0.7565 Intermediate Similarity NPD1138 Approved
0.7563 Intermediate Similarity NPD2594 Approved
0.7563 Intermediate Similarity NPD2595 Approved
0.7563 Intermediate Similarity NPD5691 Approved
0.7559 Intermediate Similarity NPD4060 Phase 1
0.7541 Intermediate Similarity NPD2428 Approved
0.7541 Intermediate Similarity NPD4359 Approved
0.7541 Intermediate Similarity NPD2429 Approved
0.7541 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD3268 Approved
0.754 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.754 Intermediate Similarity NPD6812 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD1091 Approved
0.7521 Intermediate Similarity NPD1611 Approved
0.752 Intermediate Similarity NPD6832 Phase 2
0.75 Intermediate Similarity NPD6355 Discontinued
0.75 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD17 Approved
0.748 Intermediate Similarity NPD4474 Approved
0.748 Intermediate Similarity NPD8651 Approved
0.748 Intermediate Similarity NPD7265 Discontinued
0.748 Intermediate Similarity NPD4475 Approved
0.7479 Intermediate Similarity NPD1182 Approved
0.7477 Intermediate Similarity NPD2859 Approved
0.7477 Intermediate Similarity NPD2860 Approved
0.7462 Intermediate Similarity NPD3846 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD6179 Discontinued
0.7434 Intermediate Similarity NPD1358 Approved
0.7431 Intermediate Similarity NPD3020 Approved
0.7429 Intermediate Similarity NPD9365 Approved
0.7422 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.7422 Intermediate Similarity NPD1613 Approved
0.7422 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7402 Intermediate Similarity NPD7294 Phase 1
0.7398 Intermediate Similarity NPD3685 Discontinued
0.7385 Intermediate Similarity NPD2200 Suspended
0.7385 Intermediate Similarity NPD7097 Phase 1
0.7385 Intermediate Similarity NPD7119 Phase 2
0.7383 Intermediate Similarity NPD2934 Approved
0.7383 Intermediate Similarity NPD2933 Approved
0.7381 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7373 Intermediate Similarity NPD709 Approved
0.736 Intermediate Similarity NPD3691 Phase 2
0.736 Intermediate Similarity NPD3690 Phase 2
0.736 Intermediate Similarity NPD2798 Approved
0.7355 Intermediate Similarity NPD2667 Approved
0.7355 Intermediate Similarity NPD2668 Approved
0.7355 Intermediate Similarity NPD1778 Approved
0.7348 Intermediate Similarity NPD5085 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD7030 Discontinued
0.7344 Intermediate Similarity NPD3531 Approved
0.7344 Intermediate Similarity NPD3532 Approved
0.7344 Intermediate Similarity NPD3530 Approved
0.7339 Intermediate Similarity NPD3225 Approved
0.7328 Intermediate Similarity NPD7033 Discontinued
0.7317 Intermediate Similarity NPD2233 Approved
0.7317 Intermediate Similarity NPD2230 Approved
0.7317 Intermediate Similarity NPD1840 Phase 2
0.7317 Intermediate Similarity NPD2232 Approved
0.7317 Intermediate Similarity NPD1608 Approved
0.7317 Intermediate Similarity NPD1244 Clinical (unspecified phase)
0.7313 Intermediate Similarity NPD7466 Approved
0.7302 Intermediate Similarity NPD2237 Approved
0.7302 Intermediate Similarity NPD1712 Approved
0.7302 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7295 Intermediate Similarity NPD3847 Discontinued
0.7293 Intermediate Similarity NPD2897 Discontinued
0.729 Intermediate Similarity NPD845 Approved
0.7288 Intermediate Similarity NPD593 Approved
0.7288 Intermediate Similarity NPD595 Approved
0.7287 Intermediate Similarity NPD5837 Clinical (unspecified phase)
0.7287 Intermediate Similarity NPD4140 Approved
0.7287 Intermediate Similarity NPD6225 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2796 Approved
0.7273 Intermediate Similarity NPD1651 Approved
0.7258 Intermediate Similarity NPD4129 Approved
0.7252 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7252 Intermediate Similarity NPD4536 Approved
0.7252 Intermediate Similarity NPD4538 Approved
0.7244 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD5062 Approved
0.7239 Intermediate Similarity NPD5061 Approved
0.7239 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD5735 Approved
0.7213 Intermediate Similarity NPD4626 Approved
0.7213 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD3162 Approved
0.7209 Intermediate Similarity NPD3163 Approved
0.7209 Intermediate Similarity NPD6233 Phase 2
0.7209 Intermediate Similarity NPD4870 Approved
0.7207 Intermediate Similarity NPD2558 Approved
0.7207 Intermediate Similarity NPD2552 Approved
0.7207 Intermediate Similarity NPD2553 Approved
0.7207 Intermediate Similarity NPD2549 Approved
0.7207 Intermediate Similarity NPD2550 Approved
0.7207 Intermediate Similarity NPD2555 Approved
0.7197 Intermediate Similarity NPD5960 Phase 3
0.7197 Intermediate Similarity NPD5588 Approved
0.7193 Intermediate Similarity NPD3526 Approved
0.7193 Intermediate Similarity NPD3524 Approved
0.7188 Intermediate Similarity NPD5163 Phase 2
0.7188 Intermediate Similarity NPD7095 Approved
0.7185 Intermediate Similarity NPD6748 Discontinued
0.7177 Intermediate Similarity NPD3972 Approved
0.7176 Intermediate Similarity NPD6353 Approved
0.7167 Intermediate Similarity NPD7340 Approved
0.7165 Intermediate Similarity NPD4993 Discontinued
0.7156 Intermediate Similarity NPD844 Approved
0.7154 Intermediate Similarity NPD4307 Phase 2
0.7143 Intermediate Similarity NPD1794 Approved
0.7143 Intermediate Similarity NPD4189 Approved
0.7143 Intermediate Similarity NPD4476 Approved
0.7143 Intermediate Similarity NPD6032 Approved
0.7143 Intermediate Similarity NPD4188 Approved
0.7143 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD3568 Approved
0.7143 Intermediate Similarity NPD3567 Approved
0.7143 Intermediate Similarity NPD4477 Approved
0.7132 Intermediate Similarity NPD2313 Discontinued
0.7132 Intermediate Similarity NPD1336 Approved
0.7132 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.713 Intermediate Similarity NPD5374 Approved
0.713 Intermediate Similarity NPD5373 Approved
0.7111 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD7644 Approved
0.7107 Intermediate Similarity NPD5536 Phase 2
0.7101 Intermediate Similarity NPD7004 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   15331838
ChEMBL   CHEMBL552968
ZINC  

Physicochemical Properties

Molecular Weight:  224.12
ALogP:  0.1938
MLogP:  3.11
XLogP:  6.531
# Rotatable Bonds:  2
Polar Surface Area:  9.23
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  17

Download Data

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