Natural Product: NPC315632

Natural Product ID:  NPC315632
Common Name:   4H-1,4-Benzoxazin-3-One
IUPAC Name:   4H-1,4-benzoxazin-3-one
Synonyms:  
Molecular Formula:   C8H7NO2
Standard InCHIKey:  QRCGFTXRXYMJOS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
Canonical SMILES:  OC1=Nc2c(OC1)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
NPO31781 Streptomyces anu 6277 Species Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT32 Organism Mus musculus Mus musculus ED50 = 300 mg/kg 17950496
NPT32 Organism Mus musculus Mus musculus TD50 > 300 mg/kg 17950496
NPT2528 Organism Rhopalosiphum padi Rhopalosiphum padi Activity = 17 % 15113164
NPT2562 Individual Protein Poly [ADP-ribose] polymerase-1 Homo sapiens Kd > 500000 nM 23850199

  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 NPC315632 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 NPC473987
0.8593 High Similarity NPC473874
0.8538 High Similarity NPC297584
0.8529 High Similarity NPC473769
0.8321 Intermediate Similarity NPC208022
0.8264 Intermediate Similarity NPC264782
0.8056 Intermediate Similarity NPC112766
0.8 Intermediate Similarity NPC70549
0.7787 Intermediate Similarity NPC255721
0.7718 Intermediate Similarity NPC57105
0.7533 Intermediate Similarity NPC231862
0.7483 Intermediate Similarity NPC260601
0.7413 Intermediate Similarity NPC168750
0.7343 Intermediate Similarity NPC476462
0.7339 Intermediate Similarity NPC76327
0.7338 Intermediate Similarity NPC314861
0.7319 Intermediate Similarity NPC313466
0.7296 Intermediate Similarity NPC316161
0.7165 Intermediate Similarity NPC9336
0.7165 Intermediate Similarity NPC226914
0.7154 Intermediate Similarity NPC311660
0.7153 Intermediate Similarity NPC314113
0.7133 Intermediate Similarity NPC476475
0.7034 Intermediate Similarity NPC318429
0.7006 Intermediate Similarity NPC127362
0.6993 Remote Similarity NPC10730
0.6993 Remote Similarity NPC10875
0.6968 Remote Similarity NPC306366
0.6968 Remote Similarity NPC19023
0.685 Remote Similarity NPC41594
0.6842 Remote Similarity NPC258992
0.681 Remote Similarity NPC315631
0.6774 Remote Similarity NPC315257
0.6766 Remote Similarity NPC313886
0.6765 Remote Similarity NPC263835
0.673 Remote Similarity NPC204179
0.672 Remote Similarity NPC70201
0.6694 Remote Similarity NPC313918
0.6691 Remote Similarity NPC256369
0.6646 Remote Similarity NPC290069
0.664 Remote Similarity NPC132725
0.664 Remote Similarity NPC314803
0.6606 Remote Similarity NPC220560
0.6581 Remote Similarity NPC219383
0.6562 Remote Similarity NPC256838
0.6552 Remote Similarity NPC471953
0.6545 Remote Similarity NPC168153
0.6545 Remote Similarity NPC8467
0.6538 Remote Similarity NPC44836
0.6525 Remote Similarity NPC325013
0.6522 Remote Similarity NPC53596
0.6522 Remote Similarity NPC17388
0.6522 Remote Similarity NPC471308
0.6522 Remote Similarity NPC289330
0.6522 Remote Similarity NPC160120
0.6509 Remote Similarity NPC469829
0.65 Remote Similarity NPC471314
0.65 Remote Similarity NPC471315
0.6488 Remote Similarity NPC118776
0.6477 Remote Similarity NPC478049
0.6475 Remote Similarity NPC83279
0.6474 Remote Similarity NPC184161
0.6467 Remote Similarity NPC83289
0.6467 Remote Similarity NPC212850
0.6467 Remote Similarity NPC189724
0.646 Remote Similarity NPC118511
0.6454 Remote Similarity NPC211218
0.6453 Remote Similarity NPC110741
0.6449 Remote Similarity NPC321869
0.6438 Remote Similarity NPC274732
0.6438 Remote Similarity NPC235628
0.6425 Remote Similarity NPC214368
0.6423 Remote Similarity NPC323948
0.64 Remote Similarity NPC36434
0.6397 Remote Similarity NPC303370
0.6391 Remote Similarity NPC95977
0.6389 Remote Similarity NPC259098
0.6389 Remote Similarity NPC197680
0.6387 Remote Similarity NPC125306
0.6385 Remote Similarity NPC17537
0.6384 Remote Similarity NPC314948
0.637 Remote Similarity NPC322735
0.637 Remote Similarity NPC308885
0.637 Remote Similarity NPC255550
0.6364 Remote Similarity NPC146530
0.6358 Remote Similarity NPC298821
0.6341 Remote Similarity NPC1527
0.6327 Remote Similarity NPC470392
0.6327 Remote Similarity NPC93882
0.6327 Remote Similarity NPC130595
0.6324 Remote Similarity NPC329190
0.6316 Remote Similarity NPC123761
0.6303 Remote Similarity NPC477888
0.6299 Remote Similarity NPC247298
0.6294 Remote Similarity NPC62101
0.6294 Remote Similarity NPC95733
0.6288 Remote Similarity NPC194034
0.6286 Remote Similarity NPC41801
0.6284 Remote Similarity NPC285078
0.6284 Remote Similarity NPC313737
0.6284 Remote Similarity NPC6854
0.628 Remote Similarity NPC19555
0.6269 Remote Similarity NPC329358
0.6257 Remote Similarity NPC469831
0.6242 Remote Similarity NPC218530
0.6236 Remote Similarity NPC108847
0.6233 Remote Similarity NPC155838
0.623 Remote Similarity NPC206876
0.6222 Remote Similarity NPC166837
0.6218 Remote Similarity NPC245974
0.6216 Remote Similarity NPC247018
0.6216 Remote Similarity NPC307123
0.6216 Remote Similarity NPC97870
0.6214 Remote Similarity NPC43275
0.6207 Remote Similarity NPC301713
0.62 Remote Similarity NPC122542
0.6196 Remote Similarity NPC471736
0.6194 Remote Similarity NPC161155
0.6194 Remote Similarity NPC136951
0.6194 Remote Similarity NPC97004
0.619 Remote Similarity NPC52029
0.619 Remote Similarity NPC35961
0.619 Remote Similarity NPC114325
0.619 Remote Similarity NPC195749
0.6186 Remote Similarity NPC307456
0.6185 Remote Similarity NPC42591
0.6184 Remote Similarity NPC299583
0.6184 Remote Similarity NPC47986
0.6178 Remote Similarity NPC277857
0.6178 Remote Similarity NPC115144
0.6173 Remote Similarity NPC301163
0.6173 Remote Similarity NPC291359
0.6164 Remote Similarity NPC153990
0.6164 Remote Similarity NPC251571
0.6159 Remote Similarity NPC126637
0.6154 Remote Similarity NPC51633
0.6154 Remote Similarity NPC286195
0.6154 Remote Similarity NPC97282
0.6149 Remote Similarity NPC114102
0.6149 Remote Similarity NPC262725
0.6149 Remote Similarity NPC56635
0.6148 Remote Similarity NPC46844
0.6138 Remote Similarity NPC29477
0.6138 Remote Similarity NPC136112
0.6138 Remote Similarity NPC141739
0.6138 Remote Similarity NPC320242
0.6131 Remote Similarity NPC26524
0.6129 Remote Similarity NPC178466
0.6129 Remote Similarity NPC308392
0.6129 Remote Similarity NPC63628
0.6125 Remote Similarity NPC26872
0.6118 Remote Similarity NPC14600
0.6118 Remote Similarity NPC312770
0.6118 Remote Similarity NPC160607
0.6118 Remote Similarity NPC41473
0.6118 Remote Similarity NPC204848
0.6118 Remote Similarity NPC283152
0.6116 Remote Similarity NPC23837
0.6115 Remote Similarity NPC154256
0.6115 Remote Similarity NPC290470
0.6114 Remote Similarity NPC469830
0.6111 Remote Similarity NPC476483
0.6107 Remote Similarity NPC192596
0.6107 Remote Similarity NPC214869
0.6104 Remote Similarity NPC195814
0.6102 Remote Similarity NPC124576
0.6098 Remote Similarity NPC177404
0.6087 Remote Similarity NPC142319
0.6083 Remote Similarity NPC15839
0.6081 Remote Similarity NPC470706
0.6071 Remote Similarity NPC310894
0.6067 Remote Similarity NPC169766
0.6067 Remote Similarity NPC105541
0.6061 Remote Similarity NPC108875
0.6061 Remote Similarity NPC38079
0.6059 Remote Similarity NPC473432
0.6059 Remote Similarity NPC288943
0.6058 Remote Similarity NPC266116
0.6058 Remote Similarity NPC115379
0.6054 Remote Similarity NPC186898
0.6048 Remote Similarity NPC157213
0.6043 Remote Similarity NPC37302
0.6043 Remote Similarity NPC222982
0.6036 Remote Similarity NPC225381
0.6027 Remote Similarity NPC250476
0.6026 Remote Similarity NPC470403
0.6026 Remote Similarity NPC470394
0.6026 Remote Similarity NPC29650
0.6026 Remote Similarity NPC470404
0.6024 Remote Similarity NPC70172
0.6023 Remote Similarity NPC232872
0.6015 Remote Similarity NPC8302
0.6015 Remote Similarity NPC470393
0.6014 Remote Similarity NPC301735
0.6014 Remote Similarity NPC1986
0.6014 Remote Similarity NPC474544
0.6014 Remote Similarity NPC469977
0.6013 Remote Similarity NPC315829
0.6012 Remote Similarity NPC26850
0.6 Remote Similarity NPC307039

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315632 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
0.8595 High Similarity NPD254 Approved
0.8056 Intermediate Similarity NPD980 Clinical (unspecified phase)
0.8015 Intermediate Similarity NPD204 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD1422 Approved
0.7687 Intermediate Similarity NPD3778 Approved
0.7591 Intermediate Similarity NPD1393 Approved
0.7591 Intermediate Similarity NPD756 Suspended
0.7448 Intermediate Similarity NPD2752 Clinical (unspecified phase)
0.7422 Intermediate Similarity NPD9342 Approved
0.7339 Intermediate Similarity NPD9507 Approved
0.7297 Intermediate Similarity NPD8330 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD522 Approved
0.7153 Intermediate Similarity NPD7083 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD521 Clinical (unspecified phase)
0.7105 Intermediate Similarity NPD3236 Phase 3
0.7105 Intermediate Similarity NPD3237 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD3296 Phase 1
0.7034 Intermediate Similarity NPD9365 Approved
0.702 Intermediate Similarity NPD4003 Phase 3
0.7014 Intermediate Similarity NPD5788 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2241 Approved
0.6993 Remote Similarity NPD4255 Phase 1
0.6981 Remote Similarity NPD2215 Approved
0.6981 Remote Similarity NPD2216 Approved
0.6974 Remote Similarity NPD789 Phase 2
0.6913 Remote Similarity NPD1084 Clinical (unspecified phase)
0.6899 Remote Similarity NPD4944 Phase 2
0.6899 Remote Similarity NPD4943 Phase 2
0.6897 Remote Similarity NPD822 Approved
0.6879 Remote Similarity NPD1314 Clinical (unspecified phase)
0.6871 Remote Similarity NPD4597 Approved
0.6871 Remote Similarity NPD4598 Approved
0.6859 Remote Similarity NPD6063 Approved
0.6857 Remote Similarity NPD4993 Discontinued
0.6824 Remote Similarity NPD4324 Phase 2
0.6824 Remote Similarity NPD965 Approved
0.6824 Remote Similarity NPD4325 Phase 2
0.6813 Remote Similarity NPD4606 Clinical (unspecified phase)
0.6812 Remote Similarity NPD1158 Phase 2
0.6797 Remote Similarity NPD1678 Clinical (unspecified phase)
0.6795 Remote Similarity NPD6060 Clinical (unspecified phase)
0.6748 Remote Similarity NPD4020 Clinical (unspecified phase)
0.6738 Remote Similarity NPD5266 Clinical (unspecified phase)
0.6714 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6689 Remote Similarity NPD3656 Approved
0.6687 Remote Similarity NPD5938 Phase 3
0.6667 Remote Similarity NPD4201 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1160 Phase 2
0.6667 Remote Similarity NPD7477 Discontinued
0.6667 Remote Similarity NPD4604 Approved
0.6667 Remote Similarity NPD4605 Approved
0.6644 Remote Similarity NPD5719 Approved
0.6624 Remote Similarity NPD1769 Discontinued
0.662 Remote Similarity NPD2250 Discontinued
0.6601 Remote Similarity NPD681 Clinical (unspecified phase)
0.6575 Remote Similarity NPD654 Phase 3
0.6575 Remote Similarity NPD9694 Discovery
0.6569 Remote Similarity NPD2595 Approved
0.6569 Remote Similarity NPD2594 Approved
0.6565 Remote Similarity NPD556 Approved
0.6562 Remote Similarity NPD3453 Discontinued
0.6561 Remote Similarity NPD2366 Approved
0.6549 Remote Similarity NPD850 Approved
0.6549 Remote Similarity NPD849 Approved
0.6549 Remote Similarity NPD848 Approved
0.6541 Remote Similarity NPD3559 Clinical (unspecified phase)
0.6541 Remote Similarity NPD3557 Approved
0.6541 Remote Similarity NPD3558 Approved
0.6541 Remote Similarity NPD3560 Approved
0.6541 Remote Similarity NPD3556 Approved
0.6538 Remote Similarity NPD5374 Approved
0.6538 Remote Similarity NPD5373 Approved
0.6538 Remote Similarity NPD5811 Approved
0.6535 Remote Similarity NPD291 Approved
0.6533 Remote Similarity NPD7153 Discontinued
0.6527 Remote Similarity NPD6211 Clinical (unspecified phase)
0.6524 Remote Similarity NPD5078 Clinical (unspecified phase)
0.6516 Remote Similarity NPD3627 Approved
0.6515 Remote Similarity NPD9376 Approved
0.6509 Remote Similarity NPD1334 Clinical (unspecified phase)
0.6486 Remote Similarity NPD696 Discontinued
0.6481 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6467 Remote Similarity NPD9245 Clinical (unspecified phase)
0.6456 Remote Similarity NPD4205 Phase 3
0.6449 Remote Similarity NPD1797 Approved
0.6449 Remote Similarity NPD1798 Approved
0.6442 Remote Similarity NPD4986 Clinical (unspecified phase)
0.6434 Remote Similarity NPD9501 Approved
0.6429 Remote Similarity NPD6184 Discontinued
0.6418 Remote Similarity NPD821 Approved
0.6398 Remote Similarity NPD1191 Discontinued
0.6392 Remote Similarity NPD1557 Discontinued
0.6391 Remote Similarity NPD2673 Approved
0.6391 Remote Similarity NPD2671 Approved
0.6386 Remote Similarity NPD2525 Clinical (unspecified phase)
0.6384 Remote Similarity NPD6034 Phase 2
0.637 Remote Similarity NPD3145 Approved
0.637 Remote Similarity NPD3144 Approved
0.6369 Remote Similarity NPD950 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6347 Remote Similarity NPD5132 Clinical (unspecified phase)
0.6347 Remote Similarity NPD4498 Clinical (unspecified phase)
0.6341 Remote Similarity NPD6379 Discontinued
0.6338 Remote Similarity NPD4129 Approved
0.6335 Remote Similarity NPD1012 Discontinued
0.6333 Remote Similarity NPD3693 Clinical (unspecified phase)
0.6327 Remote Similarity NPD2674 Phase 3
0.6325 Remote Similarity NPD6607 Clinical (unspecified phase)
0.6324 Remote Similarity NPD286 Approved
0.6323 Remote Similarity NPD2114 Discontinued
0.6319 Remote Similarity NPD2987 Approved
0.6319 Remote Similarity NPD2990 Approved
0.6316 Remote Similarity NPD5083 Clinical (unspecified phase)
0.6312 Remote Similarity NPD776 Approved
0.631 Remote Similarity NPD3965 Phase 1
0.6304 Remote Similarity NPD1103 Approved
0.6304 Remote Similarity NPD1102 Approved
0.6304 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6303 Remote Similarity NPD5847 Phase 1
0.6288 Remote Similarity NPD9552 Approved
0.6288 Remote Similarity NPD290 Approved
0.6288 Remote Similarity NPD9624 Approved
0.6287 Remote Similarity NPD5602 Clinical (unspecified phase)
0.6284 Remote Similarity NPD3463 Discontinued
0.6282 Remote Similarity NPD4123 Phase 3
0.628 Remote Similarity NPD2341 Discontinued
0.6277 Remote Similarity NPD191 Approved
0.6275 Remote Similarity NPD2458 Approved
0.6275 Remote Similarity NPD2460 Phase 3
0.6275 Remote Similarity NPD2459 Approved
0.6272 Remote Similarity NPD3580 Discontinued
0.6266 Remote Similarity NPD2883 Discontinued
0.6266 Remote Similarity NPD5267 Discontinued
0.6265 Remote Similarity NPD4083 Discontinued
0.6264 Remote Similarity NPD1898 Discontinued
0.625 Remote Similarity NPD3567 Approved
0.625 Remote Similarity NPD3568 Approved
0.6243 Remote Similarity NPD3153 Approved
0.6243 Remote Similarity NPD3154 Approved
0.6242 Remote Similarity NPD2249 Approved
0.6242 Remote Similarity NPD2680 Approved
0.6242 Remote Similarity NPD2247 Approved
0.6242 Remote Similarity NPD2821 Approved
0.6242 Remote Similarity NPD2681 Approved
0.6241 Remote Similarity NPD155 Clinical (unspecified phase)
0.6241 Remote Similarity NPD2684 Approved
0.6234 Remote Similarity NPD6331 Phase 2
0.6229 Remote Similarity NPD2845 Phase 2
0.6229 Remote Similarity NPD2843 Phase 2
0.6228 Remote Similarity NPD5858 Discontinued
0.6224 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6222 Remote Similarity NPD308 Approved
0.6216 Remote Similarity NPD1423 Approved
0.6216 Remote Similarity NPD481 Phase 3
0.6211 Remote Similarity NPD3812 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6393 Clinical (unspecified phase)
0.6199 Remote Similarity NPD6104 Discontinued
0.6194 Remote Similarity NPD5160 Discontinued
0.619 Remote Similarity NPD9296 Approved
0.6188 Remote Similarity NPD3538 Suspended
0.6187 Remote Similarity NPD313 Approved
0.6184 Remote Similarity NPD3175 Clinical (unspecified phase)
0.6176 Remote Similarity NPD3370 Clinical (unspecified phase)
0.6173 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6173 Remote Similarity NPD6737 Phase 2
0.6173 Remote Similarity NPD6738 Phase 2
0.6164 Remote Similarity NPD1712 Approved
0.6149 Remote Similarity NPD3056 Clinical (unspecified phase)
0.6149 Remote Similarity NPD1048 Approved
0.6144 Remote Similarity NPD7753 Approved
0.6144 Remote Similarity NPD7752 Approved
0.6143 Remote Similarity NPD7534 Approved
0.6143 Remote Similarity NPD7533 Approved
0.614 Remote Similarity NPD5553 Clinical (unspecified phase)
0.6138 Remote Similarity NPD1817 Approved
0.6138 Remote Similarity NPD1818 Approved
0.6138 Remote Similarity NPD1794 Approved
0.6138 Remote Similarity NPD1820 Approved
0.6138 Remote Similarity NPD1819 Approved
0.6133 Remote Similarity NPD5547 Clinical (unspecified phase)
0.6131 Remote Similarity NPD3951 Phase 3
0.6131 Remote Similarity NPD3952 Approved
0.6131 Remote Similarity NPD3953 Clinical (unspecified phase)
0.6129 Remote Similarity NPD6658 Clinical (unspecified phase)
0.6127 Remote Similarity NPD7877 Suspended
0.6125 Remote Similarity NPD6357 Discontinued
0.6124 Remote Similarity NPD7125 Discontinued
0.6118 Remote Similarity NPD3260 Discontinued
0.6111 Remote Similarity NPD3685 Discontinued
0.6111 Remote Similarity NPD9574 Clinical (unspecified phase)
0.6111 Remote Similarity NPD1394 Approved
0.6111 Remote Similarity NPD1669 Approved
0.6108 Remote Similarity NPD565 Phase 2
0.6093 Remote Similarity NPD2224 Approved
0.6093 Remote Similarity NPD2223 Approved
0.609 Remote Similarity NPD968 Approved
0.6087 Remote Similarity NPD5617 Suspended
0.6087 Remote Similarity NPD4678 Approved
0.6087 Remote Similarity NPD4675 Approved
0.6084 Remote Similarity NPD1559 Discontinued

Structure

External Identifiers

PubChem CID   72757
ChEMBL   CHEMBL460153
ZINC  

Physicochemical Properties

Molecular Weight:  149.05
ALogP:  -0.4375
MLogP:  2.01
XLogP:  1.647
# Rotatable Bonds:  1
Polar Surface Area:  41.82
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  11

Download Data

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