Natural Product: NPC257763

Natural Product ID:  NPC257763
Common Name:   4-Acetyl-2-Benzoxazolinone
IUPAC Name:   4-acetyl-3H-1,3-benzoxazol-2-one
Synonyms:  
Molecular Formula:   C9H7NO3
Standard InCHIKey:  FZAQRVWPQCXSPC-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H7NO3/c1-5(11)6-3-2-4-7-8(6)10-9(12)13-7/h2-4H,1H3,(H,10,12)
Canonical SMILES:  CC(=O)c1cccc2c1[nH]c(=O)o2
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
NPO33262 coprinus cinereus Species Agaricaceae Eukaryota PMID[19919060]
NPO33171 matricaria recutita Species Asteraceae Eukaryota Essential oils PMID[19191669]
NPO27786 Eucalyptus dives Species Myrtaceae Eukaryota Essential oils PMID[19191669]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1278 Organism Fusarium culmorum Fusarium culmorum IC50 = 4000 nM 24405813

  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 NPC257763 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
0.8284 Intermediate Similarity NPC197335
0.8235 Intermediate Similarity NPC314659
0.7989 Intermediate Similarity NPC87391
0.7965 Intermediate Similarity NPC472163
0.7771 Intermediate Similarity NPC93653
0.7657 Intermediate Similarity NPC270301
0.765 Intermediate Similarity NPC112937
0.7605 Intermediate Similarity NPC301163
0.76 Intermediate Similarity NPC283810
0.758 Intermediate Similarity NPC43218
0.7529 Intermediate Similarity NPC8467
0.7405 Intermediate Similarity NPC41488
0.7401 Intermediate Similarity NPC85613
0.7394 Intermediate Similarity NPC241392
0.7342 Intermediate Similarity NPC173295
0.7314 Intermediate Similarity NPC73280
0.7303 Intermediate Similarity NPC5167
0.7126 Intermediate Similarity NPC299582
0.7111 Intermediate Similarity NPC98416
0.7108 Intermediate Similarity NPC146370
0.7081 Intermediate Similarity NPC45389
0.7062 Intermediate Similarity NPC478075
0.7032 Intermediate Similarity NPC226794
0.702 Intermediate Similarity NPC39500
0.7015 Intermediate Similarity NPC288987
0.6989 Remote Similarity NPC471652
0.6978 Remote Similarity NPC28368
0.6962 Remote Similarity NPC122235
0.6957 Remote Similarity NPC253476
0.6954 Remote Similarity NPC474366
0.6931 Remote Similarity NPC198401
0.6923 Remote Similarity NPC195787
0.6923 Remote Similarity NPC246140
0.6919 Remote Similarity NPC218303
0.6919 Remote Similarity NPC187501
0.6893 Remote Similarity NPC127362
0.6881 Remote Similarity NPC184408
0.6878 Remote Similarity NPC254957
0.6878 Remote Similarity NPC314633
0.6859 Remote Similarity NPC254698
0.6828 Remote Similarity NPC262725
0.6823 Remote Similarity NPC138615
0.6823 Remote Similarity NPC218733
0.6823 Remote Similarity NPC265642
0.6823 Remote Similarity NPC132874
0.6816 Remote Similarity NPC176113
0.6807 Remote Similarity NPC43477
0.6802 Remote Similarity NPC321428
0.6802 Remote Similarity NPC212123
0.6798 Remote Similarity NPC195120
0.6793 Remote Similarity NPC116096
0.6788 Remote Similarity NPC476475
0.6784 Remote Similarity NPC144691
0.6776 Remote Similarity NPC287152
0.6771 Remote Similarity NPC316282
0.6768 Remote Similarity NPC330683
0.6768 Remote Similarity NPC329567
0.6765 Remote Similarity NPC315829
0.6748 Remote Similarity NPC144452
0.6736 Remote Similarity NPC71124
0.6735 Remote Similarity NPC41216
0.6716 Remote Similarity NPC87560
0.6708 Remote Similarity NPC194562
0.6702 Remote Similarity NPC475190
0.6702 Remote Similarity NPC230403
0.6701 Remote Similarity NPC268077
0.6701 Remote Similarity NPC163829
0.6699 Remote Similarity NPC257851
0.6684 Remote Similarity NPC22476
0.6684 Remote Similarity NPC470021
0.6683 Remote Similarity NPC208084
0.6683 Remote Similarity NPC30749
0.6667 Remote Similarity NPC300156
0.6667 Remote Similarity NPC286195
0.665 Remote Similarity NPC225279
0.665 Remote Similarity NPC157983
0.665 Remote Similarity NPC2905
0.665 Remote Similarity NPC118154
0.665 Remote Similarity NPC148391
0.665 Remote Similarity NPC207971
0.6649 Remote Similarity NPC100863
0.6646 Remote Similarity NPC266425
0.6634 Remote Similarity NPC470481
0.6634 Remote Similarity NPC470482
0.6634 Remote Similarity NPC305542
0.6634 Remote Similarity NPC131885
0.6615 Remote Similarity NPC5374
0.6601 Remote Similarity NPC114468
0.6601 Remote Similarity NPC268223
0.6597 Remote Similarity NPC1820
0.6588 Remote Similarity NPC274640
0.6587 Remote Similarity NPC471316
0.6569 Remote Similarity NPC118228
0.6561 Remote Similarity NPC130931
0.6559 Remote Similarity NPC70092
0.6553 Remote Similarity NPC134702
0.6552 Remote Similarity NPC474428
0.655 Remote Similarity NPC222561
0.6548 Remote Similarity NPC314252
0.6548 Remote Similarity NPC469732
0.6541 Remote Similarity NPC315631
0.6532 Remote Similarity NPC242000
0.6532 Remote Similarity NPC300596
0.6532 Remote Similarity NPC237649
0.6531 Remote Similarity NPC241263
0.6528 Remote Similarity NPC314702
0.6526 Remote Similarity NPC474688
0.6524 Remote Similarity NPC122886
0.6524 Remote Similarity NPC474798
0.6515 Remote Similarity NPC1464
0.6514 Remote Similarity NPC148889
0.651 Remote Similarity NPC92803
0.65 Remote Similarity NPC158551
0.65 Remote Similarity NPC45190
0.65 Remote Similarity NPC204867
0.6492 Remote Similarity NPC18890
0.6477 Remote Similarity NPC206109
0.6477 Remote Similarity NPC114039
0.6474 Remote Similarity NPC240664
0.6473 Remote Similarity NPC182853
0.6468 Remote Similarity NPC4687
0.6462 Remote Similarity NPC170333
0.6462 Remote Similarity NPC470023
0.6459 Remote Similarity NPC76478
0.6459 Remote Similarity NPC7560
0.6458 Remote Similarity NPC5630
0.6458 Remote Similarity NPC474059
0.6457 Remote Similarity NPC469539
0.6457 Remote Similarity NPC469540
0.6456 Remote Similarity NPC279385
0.6456 Remote Similarity NPC179605
0.6453 Remote Similarity NPC25961
0.6452 Remote Similarity NPC9475
0.645 Remote Similarity NPC181526
0.645 Remote Similarity NPC475147
0.6445 Remote Similarity NPC179287
0.6442 Remote Similarity NPC209389
0.644 Remote Similarity NPC21425
0.6436 Remote Similarity NPC100573
0.6436 Remote Similarity NPC207873
0.6436 Remote Similarity NPC90185
0.6433 Remote Similarity NPC308197
0.6432 Remote Similarity NPC288759
0.6429 Remote Similarity NPC251071
0.6421 Remote Similarity NPC49184
0.642 Remote Similarity NPC250476
0.6419 Remote Similarity NPC49547
0.6416 Remote Similarity NPC469978
0.6415 Remote Similarity NPC103292
0.6413 Remote Similarity NPC471648
0.641 Remote Similarity NPC230313
0.641 Remote Similarity NPC243626
0.6409 Remote Similarity NPC118511
0.6406 Remote Similarity NPC154922
0.6405 Remote Similarity NPC54626
0.6404 Remote Similarity NPC470708
0.6404 Remote Similarity NPC475133
0.6398 Remote Similarity NPC205372
0.6391 Remote Similarity NPC319645
0.639 Remote Similarity NPC38237
0.6385 Remote Similarity NPC74575
0.6385 Remote Similarity NPC140296
0.6384 Remote Similarity NPC119669
0.6383 Remote Similarity NPC166169
0.6381 Remote Similarity NPC118189
0.638 Remote Similarity NPC307437
0.638 Remote Similarity NPC72473
0.638 Remote Similarity NPC58827
0.6378 Remote Similarity NPC177261
0.6374 Remote Similarity NPC70172
0.6373 Remote Similarity NPC144381
0.6364 Remote Similarity NPC314223
0.6364 Remote Similarity NPC231382
0.6359 Remote Similarity NPC324361
0.6359 Remote Similarity NPC471778
0.6354 Remote Similarity NPC315498
0.6354 Remote Similarity NPC230942
0.6353 Remote Similarity NPC242933
0.6349 Remote Similarity NPC288305
0.6343 Remote Similarity NPC102593
0.6343 Remote Similarity NPC196718
0.6341 Remote Similarity NPC286683
0.6341 Remote Similarity NPC87413
0.6337 Remote Similarity NPC477161
0.633 Remote Similarity NPC474815
0.6329 Remote Similarity NPC298449
0.6329 Remote Similarity NPC166591
0.6329 Remote Similarity NPC55470
0.6329 Remote Similarity NPC171023
0.6324 Remote Similarity NPC471604
0.6321 Remote Similarity NPC51388
0.6321 Remote Similarity NPC242928
0.6316 Remote Similarity NPC77777
0.6316 Remote Similarity NPC174576
0.6313 Remote Similarity NPC329631
0.6313 Remote Similarity NPC234933
0.6312 Remote Similarity NPC225245
0.6308 Remote Similarity NPC13249
0.6308 Remote Similarity NPC157931
0.6307 Remote Similarity NPC214239

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC257763 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
0.7341 Intermediate Similarity NPD2680 Approved
0.7341 Intermediate Similarity NPD2681 Approved
0.733 Intermediate Similarity NPD5603 Clinical (unspecified phase)
0.7184 Intermediate Similarity NPD1559 Discontinued
0.7179 Intermediate Similarity NPD4493 Discontinued
0.7176 Intermediate Similarity NPD2672 Discontinued
0.7143 Intermediate Similarity NPD4492 Approved
0.7143 Intermediate Similarity NPD6457 Approved
0.7143 Intermediate Similarity NPD4494 Approved
0.7128 Intermediate Similarity NPD3893 Discontinued
0.7102 Intermediate Similarity NPD5186 Approved
0.7102 Intermediate Similarity NPD5183 Approved
0.7083 Intermediate Similarity NPD2737 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7597 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD4515 Suspended
0.7065 Intermediate Similarity NPD5433 Clinical (unspecified phase)
0.7056 Intermediate Similarity NPD3888 Discontinued
0.7047 Intermediate Similarity NPD4456 Clinical (unspecified phase)
0.7026 Intermediate Similarity NPD4022 Approved
0.7026 Intermediate Similarity NPD4082 Approved
0.7026 Intermediate Similarity NPD3472 Approved
0.702 Intermediate Similarity NPD4455 Discontinued
0.7018 Intermediate Similarity NPD3684 Discontinued
0.698 Remote Similarity NPD3783 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4596 Phase 1
0.6954 Remote Similarity NPD3372 Discontinued
0.6954 Remote Similarity NPD5860 Discontinued
0.6949 Remote Similarity NPD2821 Approved
0.6949 Remote Similarity NPD2247 Approved
0.6949 Remote Similarity NPD2249 Approved
0.694 Remote Similarity NPD3253 Clinical (unspecified phase)
0.6936 Remote Similarity NPD1769 Discontinued
0.6915 Remote Similarity NPD3940 Clinical (unspecified phase)
0.6898 Remote Similarity NPD5896 Clinical (unspecified phase)
0.6897 Remote Similarity NPD7858 Clinical (unspecified phase)
0.689 Remote Similarity NPD1626 Approved
0.6872 Remote Similarity NPD4465 Phase 2
0.6872 Remote Similarity NPD4467 Phase 2
0.6857 Remote Similarity NPD1012 Discontinued
0.6848 Remote Similarity NPD1891 Discontinued
0.6834 Remote Similarity NPD1945 Phase 1
0.6831 Remote Similarity NPD6293 Clinical (unspecified phase)
0.6831 Remote Similarity NPD6654 Clinical (unspecified phase)
0.6794 Remote Similarity NPD6199 Discontinued
0.6788 Remote Similarity NPD2778 Approved
0.6784 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6768 Remote Similarity NPD2906 Approved
0.6768 Remote Similarity NPD2907 Approved
0.6727 Remote Similarity NPD743 Approved
0.6726 Remote Similarity NPD1625 Approved
0.6719 Remote Similarity NPD3964 Approved
0.6716 Remote Similarity NPD4429 Discontinued
0.6709 Remote Similarity NPD1421 Approved
0.6709 Remote Similarity NPD1420 Approved
0.6705 Remote Similarity NPD2842 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5294 Clinical (unspecified phase)
0.6684 Remote Similarity NPD2779 Approved
0.6684 Remote Similarity NPD956 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1802 Approved
0.6667 Remote Similarity NPD1801 Approved
0.665 Remote Similarity NPD6478 Clinical (unspecified phase)
0.6649 Remote Similarity NPD5071 Phase 2
0.6647 Remote Similarity NPD1670 Discontinued
0.6633 Remote Similarity NPD6321 Discontinued
0.6633 Remote Similarity NPD5143 Clinical (unspecified phase)
0.6632 Remote Similarity NPD7880 Clinical (unspecified phase)
0.6615 Remote Similarity NPD1880 Phase 3
0.6608 Remote Similarity NPD1305 Clinical (unspecified phase)
0.66 Remote Similarity NPD5950 Discontinued
0.6596 Remote Similarity NPD6021 Clinical (unspecified phase)
0.6591 Remote Similarity NPD2366 Approved
0.6587 Remote Similarity NPD6160 Clinical (unspecified phase)
0.6568 Remote Similarity NPD1189 Approved
0.6558 Remote Similarity NPD3006 Discontinued
0.6558 Remote Similarity NPD7853 Phase 2
0.6557 Remote Similarity NPD2248 Approved
0.6557 Remote Similarity NPD2246 Approved
0.6554 Remote Similarity NPD3812 Clinical (unspecified phase)
0.655 Remote Similarity NPD5514 Discontinued
0.6548 Remote Similarity NPD6238 Discontinued
0.6543 Remote Similarity NPD7546 Discontinued
0.6541 Remote Similarity NPD5600 Discontinued
0.6532 Remote Similarity NPD4888 Discontinued
0.6526 Remote Similarity NPD4084 Clinical (unspecified phase)
0.652 Remote Similarity NPD3945 Discontinued
0.6513 Remote Similarity NPD7238 Clinical (unspecified phase)
0.6513 Remote Similarity NPD5515 Phase 2
0.6505 Remote Similarity NPD6719 Approved
0.6502 Remote Similarity NPD5416 Discontinued
0.6497 Remote Similarity NPD2836 Approved
0.6476 Remote Similarity NPD7547 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6211 Clinical (unspecified phase)
0.646 Remote Similarity NPD1574 Approved
0.6448 Remote Similarity NPD5847 Phase 1
0.6442 Remote Similarity NPD2899 Discontinued
0.6436 Remote Similarity NPD4859 Phase 1
0.6432 Remote Similarity NPD7071 Clinical (unspecified phase)
0.6429 Remote Similarity NPD710 Clinical (unspecified phase)
0.6429 Remote Similarity NPD2670 Approved
0.6422 Remote Similarity NPD683 Approved
0.642 Remote Similarity NPD553 Approved
0.642 Remote Similarity NPD552 Approved
0.642 Remote Similarity NPD814 Clinical (unspecified phase)
0.642 Remote Similarity NPD9567 Approved
0.6416 Remote Similarity NPD160 Clinical (unspecified phase)
0.6414 Remote Similarity NPD3289 Phase 3
0.6414 Remote Similarity NPD3290 Approved
0.6413 Remote Similarity NPD5242 Approved
0.6409 Remote Similarity NPD6533 Clinical (unspecified phase)
0.6409 Remote Similarity NPD955 Approved
0.6408 Remote Similarity NPD5417 Clinical (unspecified phase)
0.6407 Remote Similarity NPD9694 Discovery
0.6406 Remote Similarity NPD1276 Clinical (unspecified phase)
0.6406 Remote Similarity NPD2792 Approved
0.6402 Remote Similarity NPD5022 Discontinued
0.6391 Remote Similarity NPD1109 Approved
0.6391 Remote Similarity NPD1110 Approved
0.6386 Remote Similarity NPD2434 Approved
0.6378 Remote Similarity NPD3451 Clinical (unspecified phase)
0.6377 Remote Similarity NPD2433 Clinical (unspecified phase)
0.6374 Remote Similarity NPD6414 Clinical (unspecified phase)
0.6374 Remote Similarity NPD3252 Approved
0.6373 Remote Similarity NPD1166 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1230 Approved
0.6364 Remote Similarity NPD6874 Approved
0.6364 Remote Similarity NPD5334 Clinical (unspecified phase)
0.6364 Remote Similarity NPD3297 Approved
0.6359 Remote Similarity NPD2951 Discontinued
0.6355 Remote Similarity NPD2514 Approved
0.6354 Remote Similarity NPD1743 Approved
0.6354 Remote Similarity NPD1742 Approved
0.6354 Remote Similarity NPD19 Approved
0.635 Remote Similarity NPD6795 Clinical (unspecified phase)
0.6343 Remote Similarity NPD7528 Approved
0.6338 Remote Similarity NPD7186 Phase 3
0.6333 Remote Similarity NPD3437 Discontinued
0.6332 Remote Similarity NPD2339 Phase 3
0.6329 Remote Similarity NPD3257 Approved
0.6322 Remote Similarity NPD2120 Phase 2
0.6321 Remote Similarity NPD3912 Discontinued
0.6321 Remote Similarity NPD6608 Clinical (unspecified phase)
0.6318 Remote Similarity NPD3802 Phase 3
0.6316 Remote Similarity NPD5632 Approved
0.6316 Remote Similarity NPD9245 Clinical (unspecified phase)
0.6313 Remote Similarity NPD6741 Clinical (unspecified phase)
0.6308 Remote Similarity NPD7994 Phase 2
0.6308 Remote Similarity NPD3899 Clinical (unspecified phase)
0.6302 Remote Similarity NPD3154 Approved
0.6302 Remote Similarity NPD3153 Approved
0.63 Remote Similarity NPD7566 Clinical (unspecified phase)
0.6298 Remote Similarity NPD5978 Approved
0.6298 Remote Similarity NPD5977 Approved
0.6296 Remote Similarity NPD1466 Phase 3
0.6296 Remote Similarity NPD1467 Approved
0.6293 Remote Similarity NPD2081 Clinical (unspecified phase)
0.6292 Remote Similarity NPD2651 Approved
0.6292 Remote Similarity NPD2649 Approved
0.6292 Remote Similarity NPD824 Approved
0.6289 Remote Similarity NPD5928 Phase 1
0.6287 Remote Similarity NPD5102 Clinical (unspecified phase)
0.6287 Remote Similarity NPD6644 Discontinued
0.6286 Remote Similarity NPD6974 Phase 3
0.6284 Remote Similarity NPD4796 Discontinued
0.628 Remote Similarity NPD850 Approved
0.628 Remote Similarity NPD848 Approved
0.628 Remote Similarity NPD849 Approved
0.6277 Remote Similarity NPD4503 Phase 2
0.6277 Remote Similarity NPD3965 Phase 1
0.6277 Remote Similarity NPD5521 Clinical (unspecified phase)
0.6276 Remote Similarity NPD4539 Phase 1
0.6271 Remote Similarity NPD3869 Phase 3
0.6271 Remote Similarity NPD3873 Phase 3
0.6264 Remote Similarity NPD3301 Approved
0.6263 Remote Similarity NPD4979 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6104 Discontinued
0.6257 Remote Similarity NPD5919 Clinical (unspecified phase)
0.6256 Remote Similarity NPD692 Approved
0.6256 Remote Similarity NPD7180 Phase 3
0.625 Remote Similarity NPD4981 Phase 2
0.625 Remote Similarity NPD3140 Approved
0.625 Remote Similarity NPD4667 Clinical (unspecified phase)
0.625 Remote Similarity NPD3142 Approved
0.625 Remote Similarity NPD2162 Clinical (unspecified phase)
0.6244 Remote Similarity NPD3874 Discontinued
0.6244 Remote Similarity NPD7279 Phase 2
0.6244 Remote Similarity NPD7542 Phase 3
0.6244 Remote Similarity NPD7278 Phase 2
0.6243 Remote Similarity NPD5900 Clinical (unspecified phase)
0.6237 Remote Similarity NPD1898 Discontinued
0.6235 Remote Similarity NPD9279 Approved
0.6232 Remote Similarity NPD7225 Discontinued
0.6231 Remote Similarity NPD4668 Phase 2
0.623 Remote Similarity NPD1309 Phase 2
0.623 Remote Similarity NPD1307 Phase 2
0.6227 Remote Similarity NPD4368 Phase 2
0.6225 Remote Similarity NPD7043 Discontinued
0.6224 Remote Similarity NPD9243 Approved
0.6223 Remote Similarity NPD6645 Clinical (unspecified phase)
0.6222 Remote Similarity NPD1208 Approved
0.6222 Remote Similarity NPD4205 Phase 3

Structure

External Identifiers

PubChem CID   9989779
ChEMBL   CHEMBL1075970
ZINC  

Physicochemical Properties

Molecular Weight:  177.04
ALogP:  -0.3379
MLogP:  2.01
XLogP:  1.68
# Rotatable Bonds:  2
Polar Surface Area:  55.4
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  13

Download Data

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