Natural Product: NPC307253

Natural Product ID:  NPC307253
Common Name:   8-Hydroxycoumarin
IUPAC Name:   8-hydroxychromen-2-one
Synonyms:   8-Hydroxycoumarin
Molecular Formula:   C9H6O3
Standard InCHIKey:  DPTUTXWBBUARQB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H
Canonical SMILES:  O=c1ccc2c(o1)c(O)ccc2
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
NPO12182 Murraya exotica Species Rutaceae Eukaryota TM-MC*
NPO2715 Murraya paniculata Species Rutaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity Activity = 31 % 19150597
NPT1 Others Radical scavenging activity Activity = 30 % 19150597
NPT1 Others Radical scavenging activity Activity = 33 % 19150597
NPT1 Others Radical scavenging activity Activity = 32 % 19150597
NPT35 Others n.a. Inhibition = 28 % 19150597
NPT2 Others Unspecified Inhibition = 56 % 19150597
NPT2 Others Unspecified Inhibition = 37 % 19150597
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 18 % 19150597

  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 NPC307253 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
0.9113 High Similarity NPC73738
0.9052 High Similarity NPC163398
0.8908 High Similarity NPC2058
0.8898 High Similarity NPC92830
0.887 High Similarity NPC266116
0.875 High Similarity NPC14177
0.875 High Similarity NPC473054
0.875 High Similarity NPC202474
0.874 High Similarity NPC137949
0.8739 High Similarity NPC272471
0.8739 High Similarity NPC164706
0.8739 High Similarity NPC124916
0.8739 High Similarity NPC107588
0.8739 High Similarity NPC212743
0.8739 High Similarity NPC137537
0.8739 High Similarity NPC70744
0.8696 High Similarity NPC141068
0.8692 High Similarity NPC52086
0.8692 High Similarity NPC148835
0.8692 High Similarity NPC95162
0.8692 High Similarity NPC76336
0.8692 High Similarity NPC20511
0.8692 High Similarity NPC139548
0.8678 High Similarity NPC204466
0.8629 High Similarity NPC289459
0.8626 High Similarity NPC13067
0.8615 High Similarity NPC126682
0.8615 High Similarity NPC82271
0.8607 High Similarity NPC70752
0.8584 High Similarity NPC139891
0.8571 High Similarity NPC478215
0.856 High Similarity NPC213552
0.856 High Similarity NPC120225
0.8548 High Similarity NPC20443
0.8548 High Similarity NPC146886
0.8548 High Similarity NPC246704
0.8548 High Similarity NPC60517
0.8547 High Similarity NPC131530
0.8512 High Similarity NPC37858
0.848 Intermediate Similarity NPC87113
0.8462 Intermediate Similarity NPC195873
0.8403 Intermediate Similarity NPC294941
0.8403 Intermediate Similarity NPC87563
0.8385 Intermediate Similarity NPC26673
0.8385 Intermediate Similarity NPC277021
0.837 Intermediate Similarity NPC236419
0.8359 Intermediate Similarity NPC83062
0.8347 Intermediate Similarity NPC39793
0.8347 Intermediate Similarity NPC86947
0.8321 Intermediate Similarity NPC111635
0.8319 Intermediate Similarity NPC303522
0.8305 Intermediate Similarity NPC245552
0.8293 Intermediate Similarity NPC247553
0.8281 Intermediate Similarity NPC110313
0.8279 Intermediate Similarity NPC275519
0.8271 Intermediate Similarity NPC38874
0.8271 Intermediate Similarity NPC474886
0.8264 Intermediate Similarity NPC33717
0.825 Intermediate Similarity NPC217472
0.8244 Intermediate Similarity NPC474810
0.8235 Intermediate Similarity NPC91492
0.8235 Intermediate Similarity NPC230157
0.8235 Intermediate Similarity NPC7439
0.8235 Intermediate Similarity NPC256555
0.8235 Intermediate Similarity NPC34245
0.8235 Intermediate Similarity NPC110067
0.8231 Intermediate Similarity NPC147317
0.8226 Intermediate Similarity NPC60962
0.8226 Intermediate Similarity NPC224814
0.8226 Intermediate Similarity NPC189844
0.8226 Intermediate Similarity NPC109083
0.8226 Intermediate Similarity NPC269843
0.8226 Intermediate Similarity NPC302107
0.8226 Intermediate Similarity NPC14007
0.8217 Intermediate Similarity NPC241354
0.8209 Intermediate Similarity NPC43500
0.8209 Intermediate Similarity NPC164148
0.8195 Intermediate Similarity NPC471664
0.8195 Intermediate Similarity NPC471665
0.8189 Intermediate Similarity NPC300326
0.8189 Intermediate Similarity NPC58279
0.8175 Intermediate Similarity NPC185127
0.8175 Intermediate Similarity NPC248786
0.8175 Intermediate Similarity NPC471763
0.8168 Intermediate Similarity NPC245120
0.8167 Intermediate Similarity NPC95381
0.816 Intermediate Similarity NPC177291
0.816 Intermediate Similarity NPC194416
0.8154 Intermediate Similarity NPC240722
0.8154 Intermediate Similarity NPC19242
0.8154 Intermediate Similarity NPC244799
0.8151 Intermediate Similarity NPC226250
0.8151 Intermediate Similarity NPC8547
0.8151 Intermediate Similarity NPC173746
0.8151 Intermediate Similarity NPC257124
0.8151 Intermediate Similarity NPC156840
0.814 Intermediate Similarity NPC109275
0.8136 Intermediate Similarity NPC149545
0.8136 Intermediate Similarity NPC36108
0.8136 Intermediate Similarity NPC246358
0.8136 Intermediate Similarity NPC233731
0.8136 Intermediate Similarity NPC7097
0.8134 Intermediate Similarity NPC126206
0.8129 Intermediate Similarity NPC231149
0.8129 Intermediate Similarity NPC476347
0.8129 Intermediate Similarity NPC41844
0.8116 Intermediate Similarity NPC113397
0.8115 Intermediate Similarity NPC154256
0.8115 Intermediate Similarity NPC290470
0.8103 Intermediate Similarity NPC288760
0.8103 Intermediate Similarity NPC227255
0.8102 Intermediate Similarity NPC6568
0.8099 Intermediate Similarity NPC261453
0.8099 Intermediate Similarity NPC33749
0.8099 Intermediate Similarity NPC328593
0.8095 Intermediate Similarity NPC114298
0.8095 Intermediate Similarity NPC286573
0.8092 Intermediate Similarity NPC142530
0.8088 Intermediate Similarity NPC300611
0.8077 Intermediate Similarity NPC123127
0.8077 Intermediate Similarity NPC48315
0.8077 Intermediate Similarity NPC27239
0.8071 Intermediate Similarity NPC139839
0.8071 Intermediate Similarity NPC476348
0.8071 Intermediate Similarity NPC187398
0.8065 Intermediate Similarity NPC57501
0.8065 Intermediate Similarity NPC263386
0.8065 Intermediate Similarity NPC141791
0.8065 Intermediate Similarity NPC241634
0.8062 Intermediate Similarity NPC95034
0.8062 Intermediate Similarity NPC142087
0.806 Intermediate Similarity NPC186418
0.8049 Intermediate Similarity NPC65791
0.8047 Intermediate Similarity NPC280767
0.8047 Intermediate Similarity NPC3221
0.8045 Intermediate Similarity NPC135127
0.8043 Intermediate Similarity NPC232228
0.8034 Intermediate Similarity NPC294902
0.8034 Intermediate Similarity NPC1075
0.8034 Intermediate Similarity NPC1786
0.8033 Intermediate Similarity NPC474967
0.8033 Intermediate Similarity NPC233669
0.8031 Intermediate Similarity NPC257976
0.8031 Intermediate Similarity NPC242372
0.8031 Intermediate Similarity NPC212541
0.8031 Intermediate Similarity NPC164778
0.8031 Intermediate Similarity NPC229084
0.8031 Intermediate Similarity NPC4181
0.8031 Intermediate Similarity NPC160900
0.8031 Intermediate Similarity NPC106659
0.8031 Intermediate Similarity NPC18984
0.803 Intermediate Similarity NPC137669
0.8029 Intermediate Similarity NPC469564
0.8016 Intermediate Similarity NPC290451
0.8016 Intermediate Similarity NPC476165
0.8016 Intermediate Similarity NPC127389
0.8016 Intermediate Similarity NPC52247
0.8014 Intermediate Similarity NPC176903
0.8014 Intermediate Similarity NPC313334
0.8014 Intermediate Similarity NPC212670
0.8014 Intermediate Similarity NPC206264
0.8014 Intermediate Similarity NPC30688
0.8 Intermediate Similarity NPC476171
0.8 Intermediate Similarity NPC139617
0.8 Intermediate Similarity NPC78918
0.8 Intermediate Similarity NPC474874
0.8 Intermediate Similarity NPC81261
0.8 Intermediate Similarity NPC193193
0.8 Intermediate Similarity NPC31314
0.7986 Intermediate Similarity NPC163898
0.7985 Intermediate Similarity NPC252095
0.7984 Intermediate Similarity NPC156854
0.7984 Intermediate Similarity NPC277460
0.7984 Intermediate Similarity NPC134431
0.7984 Intermediate Similarity NPC179777
0.7984 Intermediate Similarity NPC203124
0.7984 Intermediate Similarity NPC309434
0.7971 Intermediate Similarity NPC138212
0.797 Intermediate Similarity NPC475468
0.797 Intermediate Similarity NPC233018
0.797 Intermediate Similarity NPC241341
0.797 Intermediate Similarity NPC36437
0.7969 Intermediate Similarity NPC312404
0.7969 Intermediate Similarity NPC273686
0.7967 Intermediate Similarity NPC281277
0.7958 Intermediate Similarity NPC205727
0.7958 Intermediate Similarity NPC120426
0.7958 Intermediate Similarity NPC21184
0.7958 Intermediate Similarity NPC294522
0.7956 Intermediate Similarity NPC326065
0.7943 Intermediate Similarity NPC48366
0.7941 Intermediate Similarity NPC76032
0.7941 Intermediate Similarity NPC100389
0.7941 Intermediate Similarity NPC132723
0.7939 Intermediate Similarity NPC261759
0.7937 Intermediate Similarity NPC158949
0.7937 Intermediate Similarity NPC470849
0.7937 Intermediate Similarity NPC470848
0.7934 Intermediate Similarity NPC474920
0.7929 Intermediate Similarity NPC199928

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC307253 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
0.8584 High Similarity NPD9697 Approved
0.8244 Intermediate Similarity NPD447 Suspended
0.8151 Intermediate Similarity NPD228 Approved
0.8031 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.8016 Intermediate Similarity NPD422 Phase 1
0.8014 Intermediate Similarity NPD1653 Approved
0.7795 Intermediate Similarity NPD3496 Discontinued
0.7769 Intermediate Similarity NPD1203 Approved
0.7727 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD3225 Approved
0.7674 Intermediate Similarity NPD9717 Approved
0.7667 Intermediate Similarity NPD290 Approved
0.7652 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7652 Intermediate Similarity NPD9494 Approved
0.7634 Intermediate Similarity NPD2797 Approved
0.763 Intermediate Similarity NPD4060 Phase 1
0.7612 Intermediate Similarity NPD411 Approved
0.76 Intermediate Similarity NPD6671 Approved
0.7578 Intermediate Similarity NPD1778 Approved
0.7521 Intermediate Similarity NPD1358 Approved
0.75 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1613 Approved
0.748 Intermediate Similarity NPD5536 Phase 2
0.7442 Intermediate Similarity NPD4626 Approved
0.7438 Intermediate Similarity NPD968 Approved
0.7383 Intermediate Similarity NPD1465 Phase 2
0.7372 Intermediate Similarity NPD1558 Phase 1
0.7361 Intermediate Similarity NPD1511 Approved
0.7353 Intermediate Similarity NPD3268 Approved
0.7328 Intermediate Similarity NPD1611 Approved
0.7328 Intermediate Similarity NPD9296 Approved
0.7319 Intermediate Similarity NPD1933 Approved
0.7295 Intermediate Similarity NPD3134 Approved
0.7286 Intermediate Similarity NPD4308 Phase 3
0.7279 Intermediate Similarity NPD7095 Approved
0.7273 Intermediate Similarity NPD1608 Approved
0.726 Intermediate Similarity NPD1512 Approved
0.7231 Intermediate Similarity NPD5691 Approved
0.7231 Intermediate Similarity NPD1357 Approved
0.723 Intermediate Similarity NPD3111 Phase 1
0.7226 Intermediate Similarity NPD2313 Discontinued
0.7222 Intermediate Similarity NPD5535 Approved
0.7197 Intermediate Similarity NPD1535 Discovery
0.7197 Intermediate Similarity NPD1091 Approved
0.7177 Intermediate Similarity NPD2684 Approved
0.7171 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD5283 Phase 1
0.7154 Intermediate Similarity NPD1548 Phase 1
0.7153 Intermediate Similarity NPD3027 Phase 3
0.7152 Intermediate Similarity NPD2801 Approved
0.7143 Intermediate Similarity NPD1481 Phase 2
0.7132 Intermediate Similarity NPD9493 Approved
0.7113 Intermediate Similarity NPD1551 Phase 2
0.7111 Intermediate Similarity NPD3267 Approved
0.7111 Intermediate Similarity NPD987 Approved
0.7111 Intermediate Similarity NPD3266 Approved
0.7107 Intermediate Similarity NPD291 Approved
0.7101 Intermediate Similarity NPD6798 Discontinued
0.7099 Intermediate Similarity NPD5585 Approved
0.7086 Intermediate Similarity NPD1934 Approved
0.7083 Intermediate Similarity NPD1652 Phase 2
0.7071 Intermediate Similarity NPD6355 Discontinued
0.7071 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD4340 Discontinued
0.7071 Intermediate Similarity NPD230 Phase 1
0.7063 Intermediate Similarity NPD5762 Approved
0.7063 Intermediate Similarity NPD5763 Approved
0.7063 Intermediate Similarity NPD7266 Discontinued
0.7059 Intermediate Similarity NPD3882 Suspended
0.7045 Intermediate Similarity NPD17 Approved
0.7034 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD4110 Phase 3
0.7034 Intermediate Similarity NPD3750 Approved
0.7031 Intermediate Similarity NPD1241 Discontinued
0.7023 Intermediate Similarity NPD1894 Discontinued
0.7021 Intermediate Similarity NPD6653 Approved
0.7021 Intermediate Similarity NPD2653 Approved
0.7007 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4307 Phase 2
0.6993 Remote Similarity NPD6032 Approved
0.6993 Remote Similarity NPD3817 Phase 2
0.6993 Remote Similarity NPD2935 Discontinued
0.6984 Remote Similarity NPD3022 Approved
0.6984 Remote Similarity NPD3021 Approved
0.6978 Remote Similarity NPD1048 Approved
0.6963 Remote Similarity NPD4749 Approved
0.6959 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6957 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6832 Phase 2
0.6953 Remote Similarity NPD7843 Approved
0.6944 Remote Similarity NPD2346 Discontinued
0.694 Remote Similarity NPD1610 Phase 2
0.6934 Remote Similarity NPD1019 Discontinued
0.6929 Remote Similarity NPD2674 Phase 3
0.6923 Remote Similarity NPD2799 Discontinued
0.6923 Remote Similarity NPD9365 Approved
0.6923 Remote Similarity NPD7157 Approved
0.6923 Remote Similarity NPD709 Approved
0.6918 Remote Similarity NPD4628 Phase 3
0.6905 Remote Similarity NPD9266 Approved
0.6905 Remote Similarity NPD74 Approved
0.6897 Remote Similarity NPD970 Clinical (unspecified phase)
0.6894 Remote Similarity NPD9545 Approved
0.6889 Remote Similarity NPD9269 Phase 2
0.6884 Remote Similarity NPD2861 Phase 2
0.6879 Remote Similarity NPD4140 Approved
0.6879 Remote Similarity NPD3620 Phase 2
0.6879 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6875 Remote Similarity NPD1501 Clinical (unspecified phase)
0.6875 Remote Similarity NPD3818 Discontinued
0.6871 Remote Similarity NPD6190 Approved
0.6857 Remote Similarity NPD3144 Approved
0.6857 Remote Similarity NPD1296 Phase 2
0.6857 Remote Similarity NPD3145 Approved
0.6846 Remote Similarity NPD1578 Phase 2
0.6838 Remote Similarity NPD4359 Approved
0.6835 Remote Similarity NPD2614 Approved
0.6833 Remote Similarity NPD844 Approved
0.6831 Remote Similarity NPD5124 Phase 1
0.6831 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6825 Remote Similarity NPD9267 Approved
0.6825 Remote Similarity NPD9264 Approved
0.6825 Remote Similarity NPD9263 Approved
0.6821 Remote Similarity NPD3687 Approved
0.6821 Remote Similarity NPD3686 Approved
0.6818 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6815 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6812 Remote Similarity NPD2798 Approved
0.6809 Remote Similarity NPD6233 Phase 2
0.6809 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4062 Phase 3
0.6803 Remote Similarity NPD8166 Discontinued
0.68 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6788 Remote Similarity NPD2922 Phase 1
0.6788 Remote Similarity NPD1283 Approved
0.6786 Remote Similarity NPD4625 Phase 3
0.6777 Remote Similarity NPD288 Approved
0.6776 Remote Similarity NPD3226 Approved
0.6774 Remote Similarity NPD5402 Approved
0.6772 Remote Similarity NPD8127 Discontinued
0.6769 Remote Similarity NPD1398 Phase 1
0.6768 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6765 Remote Similarity NPD2231 Phase 2
0.6765 Remote Similarity NPD2235 Phase 2
0.6763 Remote Similarity NPD3018 Phase 2
0.6763 Remote Similarity NPD2237 Approved
0.6755 Remote Similarity NPD5403 Approved
0.6752 Remote Similarity NPD919 Approved
0.6748 Remote Similarity NPD289 Clinical (unspecified phase)
0.6742 Remote Similarity NPD405 Clinical (unspecified phase)
0.6738 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6735 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6733 Remote Similarity NPD5401 Approved
0.6728 Remote Similarity NPD5844 Phase 1
0.6728 Remote Similarity NPD7054 Approved
0.6719 Remote Similarity NPD556 Approved
0.6715 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6714 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6713 Remote Similarity NPD9694 Discovery
0.6712 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6712 Remote Similarity NPD2344 Approved
0.671 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6693 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6692 Remote Similarity NPD7644 Approved
0.6692 Remote Similarity NPD9377 Approved
0.6692 Remote Similarity NPD9379 Approved
0.6692 Remote Similarity NPD821 Approved
0.6691 Remote Similarity NPD3705 Approved
0.6691 Remote Similarity NPD5647 Approved
0.6691 Remote Similarity NPD6584 Phase 3
0.669 Remote Similarity NPD3748 Approved
0.669 Remote Similarity NPD7033 Discontinued
0.6689 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6689 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7472 Approved
0.6667 Remote Similarity NPD2492 Phase 1
0.6667 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6667 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2424 Discontinued
0.6667 Remote Similarity NPD5846 Approved
0.6667 Remote Similarity NPD6696 Suspended
0.6667 Remote Similarity NPD3455 Phase 2
0.6667 Remote Similarity NPD6516 Phase 2
0.6667 Remote Similarity NPD6799 Approved
0.6667 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7549 Discontinued
0.6646 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6646 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6646 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6646 Remote Similarity NPD6166 Phase 2
0.6644 Remote Similarity NPD2354 Approved
0.6643 Remote Similarity NPD943 Approved
0.6642 Remote Similarity NPD1182 Approved
0.6623 Remote Similarity NPD7446 Clinical (unspecified phase)
0.6621 Remote Similarity NPD7097 Phase 1
0.662 Remote Similarity NPD6410 Clinical (unspecified phase)
0.662 Remote Similarity NPD7985 Registered
0.6618 Remote Similarity NPD915 Approved

Structure

External Identifiers

PubChem CID   122783
ChEMBL   CHEMBL389988
ZINC  

Physicochemical Properties

Molecular Weight:  162.03
ALogP:  -0.1903
MLogP:  2.12
XLogP:  1.532
# Rotatable Bonds:  1
Polar Surface Area:  46.53
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  12

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