Natural Product: NPC473987

Natural Product ID:  NPC473987
Common Name:   2-Hydroxy-4H-1,4-Benzoxazin-3-One
IUPAC Name:   2-hydroxy-4H-1,4-benzoxazin-3-one
Synonyms:  
Molecular Formula:   C8H7NO3
Standard InCHIKey:  VMQBFYRBJKDACN-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)
Canonical SMILES:  OC1=Nc2ccccc2OC1O
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
NPO33369.1 coix lachryma-jobi Under-species NA NA Roots PMID[2453615]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1136 Cell Line mast cells Mus musculus Inhibition = 52.5 % 19836230
NPT1136 Cell Line mast cells Mus musculus Inhibition = 65.8 % 18817444
NPT2528 Organism Rhopalosiphum padi Rhopalosiphum padi Activity = 38 % 21314138

  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 NPC473987 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
0.9508 High Similarity NPC315632
0.9037 High Similarity NPC473874
0.8971 High Similarity NPC473769
0.8472 Intermediate Similarity NPC112766
0.8414 Intermediate Similarity NPC70549
0.8162 Intermediate Similarity NPC297584
0.7956 Intermediate Similarity NPC208022
0.7874 Intermediate Similarity NPC264782
0.7832 Intermediate Similarity NPC168750
0.7532 Intermediate Similarity NPC57105
0.7422 Intermediate Similarity NPC255721
0.7355 Intermediate Similarity NPC231862
0.7355 Intermediate Similarity NPC19023
0.7181 Intermediate Similarity NPC260601
0.717 Intermediate Similarity NPC314861
0.7134 Intermediate Similarity NPC316161
0.7047 Intermediate Similarity NPC476462
0.7014 Intermediate Similarity NPC313466
0.7012 Intermediate Similarity NPC290069
0.7 Intermediate Similarity NPC76327
0.697 Remote Similarity NPC220560
0.6959 Remote Similarity NPC476475
0.6957 Remote Similarity NPC127362
0.6923 Remote Similarity NPC41594
0.6867 Remote Similarity NPC314113
0.6842 Remote Similarity NPC9336
0.6842 Remote Similarity NPC226914
0.6835 Remote Similarity NPC10730
0.6835 Remote Similarity NPC10875
0.6829 Remote Similarity NPC318429
0.6822 Remote Similarity NPC311660
0.68 Remote Similarity NPC36434
0.6755 Remote Similarity NPC298821
0.6711 Remote Similarity NPC123761
0.6708 Remote Similarity NPC306366
0.6667 Remote Similarity NPC315631
0.6628 Remote Similarity NPC313886
0.6581 Remote Similarity NPC136951
0.6581 Remote Similarity NPC161155
0.6581 Remote Similarity NPC97004
0.657 Remote Similarity NPC469829
0.6547 Remote Similarity NPC258992
0.6538 Remote Similarity NPC97282
0.6522 Remote Similarity NPC471736
0.6522 Remote Similarity NPC315257
0.6522 Remote Similarity NPC142319
0.6516 Remote Similarity NPC178466
0.6516 Remote Similarity NPC63628
0.6494 Remote Similarity NPC195814
0.6485 Remote Similarity NPC204179
0.6479 Remote Similarity NPC263835
0.6462 Remote Similarity NPC132725
0.6452 Remote Similarity NPC308392
0.6444 Remote Similarity NPC478049
0.6412 Remote Similarity NPC8467
0.6412 Remote Similarity NPC70201
0.6408 Remote Similarity NPC256369
0.6385 Remote Similarity NPC313918
0.6383 Remote Similarity NPC9248
0.6354 Remote Similarity NPC314948
0.6338 Remote Similarity NPC228907
0.6336 Remote Similarity NPC314803
0.6335 Remote Similarity NPC219383
0.6322 Remote Similarity NPC469831
0.6316 Remote Similarity NPC168153
0.6304 Remote Similarity NPC214368
0.6291 Remote Similarity NPC471953
0.6273 Remote Similarity NPC114659
0.6273 Remote Similarity NPC139699
0.6269 Remote Similarity NPC256838
0.6268 Remote Similarity NPC323948
0.6267 Remote Similarity NPC470706
0.6264 Remote Similarity NPC118776
0.6259 Remote Similarity NPC325013
0.625 Remote Similarity NPC289330
0.625 Remote Similarity NPC160120
0.625 Remote Similarity NPC60589
0.625 Remote Similarity NPC44836
0.625 Remote Similarity NPC17388
0.625 Remote Similarity NPC469708
0.625 Remote Similarity NPC471308
0.625 Remote Similarity NPC53596
0.6242 Remote Similarity NPC198798
0.6242 Remote Similarity NPC197680
0.6242 Remote Similarity NPC259098
0.6236 Remote Similarity NPC110741
0.6235 Remote Similarity NPC310894
0.6235 Remote Similarity NPC184161
0.6233 Remote Similarity NPC471314
0.6233 Remote Similarity NPC471315
0.6228 Remote Similarity NPC118511
0.6222 Remote Similarity NPC17537
0.6221 Remote Similarity NPC286195
0.6218 Remote Similarity NPC189724
0.6218 Remote Similarity NPC83289
0.6218 Remote Similarity NPC212850
0.6207 Remote Similarity NPC83279
0.6207 Remote Similarity NPC469412
0.6207 Remote Similarity NPC269242
0.6207 Remote Similarity NPC198734
0.6205 Remote Similarity NPC235628
0.6204 Remote Similarity NPC146530
0.62 Remote Similarity NPC469977
0.619 Remote Similarity NPC211218
0.6184 Remote Similarity NPC274732
0.6184 Remote Similarity NPC470392
0.6183 Remote Similarity NPC311357
0.6181 Remote Similarity NPC321869
0.618 Remote Similarity NPC469830
0.6164 Remote Similarity NPC57751
0.6164 Remote Similarity NPC226712
0.6149 Remote Similarity NPC95733
0.6149 Remote Similarity NPC62101
0.6138 Remote Similarity NPC41801
0.6133 Remote Similarity NPC101372
0.6131 Remote Similarity NPC194034
0.6127 Remote Similarity NPC303370
0.6121 Remote Similarity NPC10221
0.6121 Remote Similarity NPC140915
0.6121 Remote Similarity NPC305700
0.6121 Remote Similarity NPC18249
0.6121 Remote Similarity NPC187028
0.6121 Remote Similarity NPC197741
0.612 Remote Similarity NPC108847
0.6118 Remote Similarity NPC255550
0.6118 Remote Similarity NPC1527
0.6118 Remote Similarity NPC308885
0.6115 Remote Similarity NPC95977
0.6105 Remote Similarity NPC225381
0.6099 Remote Similarity NPC322735
0.6096 Remote Similarity NPC276195
0.6095 Remote Similarity NPC70172
0.6089 Remote Similarity NPC232872
0.6087 Remote Similarity NPC245974
0.6082 Remote Similarity NPC477888
0.608 Remote Similarity NPC125306
0.6078 Remote Similarity NPC97870
0.6078 Remote Similarity NPC130595
0.6078 Remote Similarity NPC247018
0.6078 Remote Similarity NPC307123
0.6078 Remote Similarity NPC93882
0.6067 Remote Similarity NPC251466
0.6065 Remote Similarity NPC122542
0.6062 Remote Similarity NPC247298
0.6059 Remote Similarity NPC19555
0.6056 Remote Similarity NPC329190
0.6051 Remote Similarity NPC288349
0.604 Remote Similarity NPC25817
0.604 Remote Similarity NPC287429
0.604 Remote Similarity NPC300955
0.604 Remote Similarity NPC221090
0.6039 Remote Similarity NPC313737
0.6039 Remote Similarity NPC285078
0.6039 Remote Similarity NPC6854
0.6034 Remote Similarity NPC262725
0.6024 Remote Similarity NPC56635
0.6014 Remote Similarity NPC152722
0.6012 Remote Similarity NPC320064
0.6 Remote Similarity NPC320242
0.6 Remote Similarity NPC136112
0.6 Remote Similarity NPC329358
0.6 Remote Similarity NPC141739
0.6 Remote Similarity NPC71105
0.6 Remote Similarity NPC282477
0.6 Remote Similarity NPC284855
0.6 Remote Similarity NPC51633
0.6 Remote Similarity NPC207541
0.6 Remote Similarity NPC46844
0.6 Remote Similarity NPC170583
0.6 Remote Similarity NPC470510
0.6 Remote Similarity NPC218530
0.6 Remote Similarity NPC182147
0.6 Remote Similarity NPC246133
0.6 Remote Similarity NPC152186
0.6 Remote Similarity NPC29477
0.5987 Remote Similarity NPC160607
0.5987 Remote Similarity NPC155838
0.5987 Remote Similarity NPC41473
0.5987 Remote Similarity NPC204848
0.5987 Remote Similarity NPC14600
0.5987 Remote Similarity NPC312770
0.5979 Remote Similarity NPC159101
0.5978 Remote Similarity NPC42591
0.5976 Remote Similarity NPC72291
0.5973 Remote Similarity NPC192810
0.5973 Remote Similarity NPC217854
0.5972 Remote Similarity NPC154256
0.5972 Remote Similarity NPC290470
0.5966 Remote Similarity NPC287152
0.596 Remote Similarity NPC233559
0.596 Remote Similarity NPC156944
0.596 Remote Similarity NPC298845
0.596 Remote Similarity NPC301713
0.5959 Remote Similarity NPC14950
0.5959 Remote Similarity NPC43275
0.5957 Remote Similarity NPC166837
0.5956 Remote Similarity NPC192596
0.5952 Remote Similarity NPC301163
0.5952 Remote Similarity NPC291359
0.5951 Remote Similarity NPC277857

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC473987 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
0.8189 Intermediate Similarity NPD254 Approved
0.7733 Intermediate Similarity NPD980 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD204 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD1422 Approved
0.7569 Intermediate Similarity NPD521 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD1393 Approved
0.7394 Intermediate Similarity NPD756 Suspended
0.7386 Intermediate Similarity NPD3778 Approved
0.7152 Intermediate Similarity NPD2752 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD8330 Clinical (unspecified phase)
0.709 Intermediate Similarity NPD9342 Approved
0.705 Intermediate Similarity NPD522 Approved
0.7 Intermediate Similarity NPD9507 Approved
0.698 Remote Similarity NPD7083 Clinical (unspecified phase)
0.6859 Remote Similarity NPD4003 Phase 3
0.6842 Remote Similarity NPD2241 Approved
0.6835 Remote Similarity NPD4255 Phase 1
0.6835 Remote Similarity NPD3237 Clinical (unspecified phase)
0.6835 Remote Similarity NPD3236 Phase 3
0.6829 Remote Similarity NPD2216 Approved
0.6829 Remote Similarity NPD9365 Approved
0.6829 Remote Similarity NPD2215 Approved
0.6772 Remote Similarity NPD3296 Phase 1
0.6767 Remote Similarity NPD556 Approved
0.6752 Remote Similarity NPD1678 Clinical (unspecified phase)
0.6733 Remote Similarity NPD5788 Clinical (unspecified phase)
0.6733 Remote Similarity NPD822 Approved
0.6709 Remote Similarity NPD789 Phase 2
0.6708 Remote Similarity NPD6063 Approved
0.6667 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6646 Remote Similarity NPD4944 Phase 2
0.6646 Remote Similarity NPD4943 Phase 2
0.6645 Remote Similarity NPD1084 Clinical (unspecified phase)
0.6601 Remote Similarity NPD4597 Approved
0.6601 Remote Similarity NPD4598 Approved
0.6599 Remote Similarity NPD1314 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4325 Phase 2
0.6591 Remote Similarity NPD4324 Phase 2
0.6575 Remote Similarity NPD4993 Discontinued
0.6575 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6558 Remote Similarity NPD965 Approved
0.6548 Remote Similarity NPD5938 Phase 3
0.6543 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6536 Remote Similarity NPD4604 Approved
0.6536 Remote Similarity NPD4605 Approved
0.6536 Remote Similarity NPD3656 Approved
0.6528 Remote Similarity NPD1158 Phase 2
0.6509 Remote Similarity NPD4020 Clinical (unspecified phase)
0.6475 Remote Similarity NPD191 Approved
0.6463 Remote Similarity NPD2250 Discontinued
0.6438 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6424 Remote Similarity NPD9694 Discovery
0.6424 Remote Similarity NPD3453 Discontinued
0.642 Remote Similarity NPD2366 Approved
0.642 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6402 Remote Similarity NPD3556 Approved
0.6402 Remote Similarity NPD3557 Approved
0.6402 Remote Similarity NPD3558 Approved
0.6402 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6402 Remote Similarity NPD3560 Approved
0.64 Remote Similarity NPD7477 Discontinued
0.6398 Remote Similarity NPD5811 Approved
0.6395 Remote Similarity NPD849 Approved
0.6395 Remote Similarity NPD850 Approved
0.6395 Remote Similarity NPD848 Approved
0.6395 Remote Similarity NPD6184 Discontinued
0.6395 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6395 Remote Similarity NPD1160 Phase 2
0.6392 Remote Similarity NPD2114 Discontinued
0.6389 Remote Similarity NPD776 Approved
0.6387 Remote Similarity NPD5719 Approved
0.638 Remote Similarity NPD1769 Discontinued
0.6364 Remote Similarity NPD291 Approved
0.6352 Remote Similarity NPD681 Clinical (unspecified phase)
0.6347 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6316 Remote Similarity NPD654 Phase 3
0.6301 Remote Similarity NPD3685 Discontinued
0.6294 Remote Similarity NPD2594 Approved
0.6294 Remote Similarity NPD2595 Approved
0.6294 Remote Similarity NPD5078 Clinical (unspecified phase)
0.6294 Remote Similarity NPD1798 Approved
0.6294 Remote Similarity NPD1797 Approved
0.6286 Remote Similarity NPD1334 Clinical (unspecified phase)
0.6282 Remote Similarity NPD7153 Discontinued
0.6273 Remote Similarity NPD3627 Approved
0.6269 Remote Similarity NPD9501 Approved
0.625 Remote Similarity NPD5374 Approved
0.625 Remote Similarity NPD5373 Approved
0.6234 Remote Similarity NPD696 Discontinued
0.6232 Remote Similarity NPD9376 Approved
0.622 Remote Similarity NPD4205 Phase 3
0.6218 Remote Similarity NPD9245 Clinical (unspecified phase)
0.6213 Remote Similarity NPD4986 Clinical (unspecified phase)
0.6205 Remote Similarity NPD2358 Clinical (unspecified phase)
0.6205 Remote Similarity NPD1012 Discontinued
0.6194 Remote Similarity NPD3693 Clinical (unspecified phase)
0.6193 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6188 Remote Similarity NPD5150 Phase 2
0.6185 Remote Similarity NPD3965 Phase 1
0.6175 Remote Similarity NPD6034 Phase 2
0.6168 Remote Similarity NPD1191 Discontinued
0.6164 Remote Similarity NPD1091 Approved
0.6163 Remote Similarity NPD2525 Clinical (unspecified phase)
0.6159 Remote Similarity NPD1557 Discontinued
0.6149 Remote Similarity NPD7498 Phase 1
0.6149 Remote Similarity NPD7499 Phase 1
0.6145 Remote Similarity NPD1898 Discontinued
0.6143 Remote Similarity NPD821 Approved
0.6135 Remote Similarity NPD950 Clinical (unspecified phase)
0.6131 Remote Similarity NPD290 Approved
0.6131 Remote Similarity NPD9552 Approved
0.6127 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6127 Remote Similarity NPD5132 Clinical (unspecified phase)
0.6125 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6124 Remote Similarity NPD3154 Approved
0.6124 Remote Similarity NPD3153 Approved
0.6118 Remote Similarity NPD3145 Approved
0.6118 Remote Similarity NPD6379 Discontinued
0.6118 Remote Similarity NPD2821 Approved
0.6118 Remote Similarity NPD2681 Approved
0.6118 Remote Similarity NPD2249 Approved
0.6118 Remote Similarity NPD2680 Approved
0.6118 Remote Similarity NPD2247 Approved
0.6118 Remote Similarity NPD3144 Approved
0.6115 Remote Similarity NPD1375 Discontinued
0.6115 Remote Similarity NPD2673 Approved
0.6115 Remote Similarity NPD2671 Approved
0.6105 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6105 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6087 Remote Similarity NPD2684 Approved
0.6084 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6082 Remote Similarity NPD5847 Phase 1
0.6081 Remote Similarity NPD4129 Approved
0.6078 Remote Similarity NPD2674 Phase 3
0.6078 Remote Similarity NPD1423 Approved
0.6069 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6067 Remote Similarity NPD2990 Approved
0.6067 Remote Similarity NPD2987 Approved
0.6062 Remote Similarity NPD5160 Discontinued
0.6059 Remote Similarity NPD2341 Discontinued
0.6057 Remote Similarity NPD3580 Discontinued
0.6057 Remote Similarity NPD3370 Clinical (unspecified phase)
0.6056 Remote Similarity NPD286 Approved
0.6051 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6049 Remote Similarity NPD4123 Phase 3
0.6047 Remote Similarity NPD4083 Discontinued
0.6042 Remote Similarity NPD1102 Approved
0.6042 Remote Similarity NPD1103 Approved
0.6042 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6039 Remote Similarity NPD3463 Discontinued
0.6038 Remote Similarity NPD2459 Approved
0.6038 Remote Similarity NPD2460 Phase 3
0.6038 Remote Similarity NPD2458 Approved
0.6037 Remote Similarity NPD5267 Discontinued
0.6037 Remote Similarity NPD2883 Discontinued
0.6023 Remote Similarity NPD5553 Clinical (unspecified phase)
0.6022 Remote Similarity NPD2843 Phase 2
0.6022 Remote Similarity NPD2845 Phase 2
0.6014 Remote Similarity NPD9624 Approved
0.6013 Remote Similarity NPD7752 Approved
0.6013 Remote Similarity NPD1048 Approved
0.6013 Remote Similarity NPD7753 Approved
0.6013 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6012 Remote Similarity NPD7318 Phase 3
0.6012 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6012 Remote Similarity NPD5858 Discontinued
0.6012 Remote Similarity NPD3951 Phase 3
0.6012 Remote Similarity NPD3952 Approved
0.6 Remote Similarity NPD1817 Approved
0.6 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6 Remote Similarity NPD1819 Approved
0.6 Remote Similarity NPD6331 Phase 2
0.6 Remote Similarity NPD1818 Approved
0.6 Remote Similarity NPD1794 Approved
0.6 Remote Similarity NPD6793 Clinical (unspecified phase)
0.6 Remote Similarity NPD3568 Approved
0.6 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6 Remote Similarity NPD3567 Approved
0.6 Remote Similarity NPD1820 Approved
0.5989 Remote Similarity NPD6104 Discontinued
0.5989 Remote Similarity NPD7149 Clinical (unspecified phase)
0.5986 Remote Similarity NPD155 Clinical (unspecified phase)
0.5974 Remote Similarity NPD481 Phase 3
0.5973 Remote Similarity NPD3676 Clinical (unspecified phase)
0.5968 Remote Similarity NPD6877 Discontinued
0.5964 Remote Similarity NPD3538 Suspended
0.5962 Remote Similarity NPD2224 Approved
0.5962 Remote Similarity NPD2223 Approved
0.5957 Remote Similarity NPD308 Approved
0.5955 Remote Similarity NPD3542 Clinical (unspecified phase)
0.5952 Remote Similarity NPD5294 Clinical (unspecified phase)
0.5952 Remote Similarity NPD6738 Phase 2
0.5952 Remote Similarity NPD6737 Phase 2
0.5949 Remote Similarity NPD729 Discontinued
0.5946 Remote Similarity NPD8249 Clinical (unspecified phase)
0.5943 Remote Similarity NPD3369 Phase 2
0.5936 Remote Similarity NPD5547 Clinical (unspecified phase)
0.5932 Remote Similarity NPD6496 Clinical (unspecified phase)
0.5931 Remote Similarity NPD313 Approved
0.5926 Remote Similarity NPD5756 Phase 2

Structure

External Identifiers

PubChem CID   322636
ChEMBL   CHEMBL457386
ZINC  

Physicochemical Properties

Molecular Weight:  165.04
ALogP:  -0.5584
MLogP:  1.9
XLogP:  1.607
# Rotatable Bonds:  2
Polar Surface Area:  62.05
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  12

Download Data

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