Natural Product: NPC293453

Natural Product ID:  NPC293453
Common Name:   4-Hydroxy-2,6-Dimethoxybenzoic Acid
IUPAC Name:   4-hydroxy-2,6-dimethoxybenzoic acid
Synonyms:  
Molecular Formula:   C9H10O5
Standard InCHIKey:  HIVSALLSJIAQQF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C9H10O5/c1-13-6-3-5(10)4-7(14-2)8(6)9(11)12/h3-4,10H,1-2H3,(H,11,12)
Canonical SMILES:  COc1cc(O)cc(c1C(=O)O)OC
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
NPO16607 Rubia yunnanensis Species Rubiaceae Eukaryota PMID[12762798]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 9.5 % 23819871
NPT2 Others Unspecified Inhibition = 28 % 24369840
NPT2 Others Unspecified Inhibition = 9.3 % 18598080
NPT2 Others Unspecified Inhibition = 7.2 % 24767839
NPT2 Others Unspecified Inhibition = 7.5 % 15974617

  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 NPC293453 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
0.9837 High Similarity NPC307732
0.9837 High Similarity NPC42292
0.9593 High Similarity NPC128428
0.9593 High Similarity NPC305518
0.9512 High Similarity NPC95309
0.9508 High Similarity NPC6888
0.9453 High Similarity NPC182496
0.9453 High Similarity NPC180905
0.944 High Similarity NPC212379
0.944 High Similarity NPC69235
0.936 High Similarity NPC186098
0.936 High Similarity NPC80694
0.9308 High Similarity NPC135837
0.9286 High Similarity NPC230818
0.9286 High Similarity NPC78662
0.9286 High Similarity NPC8005
0.9219 High Similarity NPC475589
0.9219 High Similarity NPC31872
0.9219 High Similarity NPC473584
0.9213 High Similarity NPC12694
0.9213 High Similarity NPC84772
0.9147 High Similarity NPC25937
0.9147 High Similarity NPC87231
0.9147 High Similarity NPC129132
0.9147 High Similarity NPC212631
0.9147 High Similarity NPC203817
0.9147 High Similarity NPC257756
0.9147 High Similarity NPC205468
0.9141 High Similarity NPC5515
0.9141 High Similarity NPC324482
0.9141 High Similarity NPC270369
0.9141 High Similarity NPC219892
0.9141 High Similarity NPC189823
0.9098 High Similarity NPC165172
0.9098 High Similarity NPC230902
0.9077 High Similarity NPC263670
0.9077 High Similarity NPC223457
0.9077 High Similarity NPC294593
0.9077 High Similarity NPC472365
0.9077 High Similarity NPC242294
0.9077 High Similarity NPC159623
0.9077 High Similarity NPC28753
0.9077 High Similarity NPC188646
0.9077 High Similarity NPC139813
0.9077 High Similarity NPC175098
0.9077 High Similarity NPC312318
0.9077 High Similarity NPC144051
0.9077 High Similarity NPC82225
0.9077 High Similarity NPC192304
0.9077 High Similarity NPC56031
0.9077 High Similarity NPC204960
0.9077 High Similarity NPC20560
0.9077 High Similarity NPC337373
0.9077 High Similarity NPC18877
0.907 High Similarity NPC262359
0.907 High Similarity NPC64359
0.907 High Similarity NPC27490
0.907 High Similarity NPC313618
0.907 High Similarity NPC308037
0.9062 High Similarity NPC185497
0.903 High Similarity NPC307990
0.903 High Similarity NPC475730
0.903 High Similarity NPC90411
0.903 High Similarity NPC67650
0.903 High Similarity NPC16455
0.903 High Similarity NPC1704
0.9008 High Similarity NPC125920
0.9008 High Similarity NPC236974
0.9008 High Similarity NPC164136
0.9008 High Similarity NPC286336
0.9008 High Similarity NPC144027
0.9 High Similarity NPC153783
0.9 High Similarity NPC10971
0.8984 High Similarity NPC60558
0.8968 High Similarity NPC65041
0.8963 High Similarity NPC474385
0.8963 High Similarity NPC250755
0.8939 High Similarity NPC84699
0.8939 High Similarity NPC60667
0.8939 High Similarity NPC13575
0.8931 High Similarity NPC93756
0.8931 High Similarity NPC175943
0.8931 High Similarity NPC108113
0.8923 High Similarity NPC186097
0.8923 High Similarity NPC475009
0.8923 High Similarity NPC65060
0.8923 High Similarity NPC475008
0.8915 High Similarity NPC247779
0.8897 High Similarity NPC469542
0.8897 High Similarity NPC51106
0.8897 High Similarity NPC472006
0.8889 High Similarity NPC220106
0.8889 High Similarity NPC255073
0.8872 High Similarity NPC29353
0.8872 High Similarity NPC477244
0.8872 High Similarity NPC47815
0.8872 High Similarity NPC476333
0.8872 High Similarity NPC194281
0.8872 High Similarity NPC150399
0.8872 High Similarity NPC187826
0.8872 High Similarity NPC274109
0.8872 High Similarity NPC473391
0.8872 High Similarity NPC470398
0.8872 High Similarity NPC66349
0.8872 High Similarity NPC222633
0.8872 High Similarity NPC186838
0.8872 High Similarity NPC127447
0.8872 High Similarity NPC156910
0.8872 High Similarity NPC121243
0.8872 High Similarity NPC477243
0.8872 High Similarity NPC472364
0.8872 High Similarity NPC231772
0.8872 High Similarity NPC472367
0.8872 High Similarity NPC477242
0.8872 High Similarity NPC234133
0.8872 High Similarity NPC41461
0.8872 High Similarity NPC473887
0.8872 High Similarity NPC1486
0.8872 High Similarity NPC240147
0.8872 High Similarity NPC124784
0.8872 High Similarity NPC168105
0.8872 High Similarity NPC249606
0.8872 High Similarity NPC12165
0.8872 High Similarity NPC98115
0.8872 High Similarity NPC174999
0.8872 High Similarity NPC25287
0.8872 High Similarity NPC470397
0.8864 High Similarity NPC103842
0.8862 High Similarity NPC61779
0.8832 High Similarity NPC66404
0.8832 High Similarity NPC210425
0.8832 High Similarity NPC95123
0.8832 High Similarity NPC277426
0.8832 High Similarity NPC86373
0.8832 High Similarity NPC280404
0.8832 High Similarity NPC470216
0.8828 High Similarity NPC475496
0.8828 High Similarity NPC49852
0.8824 High Similarity NPC105648
0.8806 High Similarity NPC153979
0.8806 High Similarity NPC266597
0.8806 High Similarity NPC209560
0.8806 High Similarity NPC332594
0.8806 High Similarity NPC303644
0.8806 High Similarity NPC188879
0.8806 High Similarity NPC472419
0.8806 High Similarity NPC162680
0.8806 High Similarity NPC317119
0.8806 High Similarity NPC250266
0.8806 High Similarity NPC181124
0.8806 High Similarity NPC294409
0.8806 High Similarity NPC7013
0.8806 High Similarity NPC116632
0.8797 High Similarity NPC131039
0.8797 High Similarity NPC156092
0.8797 High Similarity NPC235115
0.8797 High Similarity NPC158481
0.8797 High Similarity NPC39426
0.8797 High Similarity NPC234560
0.8788 High Similarity NPC50898
0.8788 High Similarity NPC213216
0.8788 High Similarity NPC78540
0.8788 High Similarity NPC274121
0.878 High Similarity NPC40649
0.878 High Similarity NPC241089
0.878 High Similarity NPC209486
0.8779 High Similarity NPC164236
0.8779 High Similarity NPC128348
0.8779 High Similarity NPC309717
0.8779 High Similarity NPC189106
0.8779 High Similarity NPC66384
0.8779 High Similarity NPC112192
0.8768 High Similarity NPC472034
0.8768 High Similarity NPC134621
0.8768 High Similarity NPC312789
0.8768 High Similarity NPC316535
0.876 High Similarity NPC473907
0.8741 High Similarity NPC268052
0.8741 High Similarity NPC131130
0.8741 High Similarity NPC12175
0.8741 High Similarity NPC188947
0.8741 High Similarity NPC243528
0.8741 High Similarity NPC92655
0.8741 High Similarity NPC477055
0.8741 High Similarity NPC279668
0.8741 High Similarity NPC25427
0.8741 High Similarity NPC124269
0.8741 High Similarity NPC470399
0.8741 High Similarity NPC251681
0.8741 High Similarity NPC472368
0.8741 High Similarity NPC278323
0.8741 High Similarity NPC280284
0.8741 High Similarity NPC90665
0.8741 High Similarity NPC99333
0.8741 High Similarity NPC477056
0.8741 High Similarity NPC55162
0.8741 High Similarity NPC32360
0.8741 High Similarity NPC21350
0.8741 High Similarity NPC309154
0.874 High Similarity NPC145134

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC293453 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
0.9167 High Similarity NPD970 Clinical (unspecified phase)
0.907 High Similarity NPD1240 Approved
0.8931 High Similarity NPD1607 Approved
0.8797 High Similarity NPD1510 Phase 2
0.8667 High Similarity NPD1550 Clinical (unspecified phase)
0.8667 High Similarity NPD1552 Clinical (unspecified phase)
0.8618 High Similarity NPD9493 Approved
0.8603 High Similarity NPD1549 Phase 2
0.8593 High Similarity NPD1551 Phase 2
0.8583 High Similarity NPD9717 Approved
0.848 Intermediate Similarity NPD9545 Approved
0.8478 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8429 Intermediate Similarity NPD6799 Approved
0.8385 Intermediate Similarity NPD1203 Approved
0.8369 Intermediate Similarity NPD2533 Approved
0.8369 Intermediate Similarity NPD2532 Approved
0.8369 Intermediate Similarity NPD2534 Approved
0.8369 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8346 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8296 Intermediate Similarity NPD230 Phase 1
0.8276 Intermediate Similarity NPD7411 Suspended
0.8235 Intermediate Similarity NPD6651 Approved
0.8217 Intermediate Similarity NPD422 Phase 1
0.8188 Intermediate Similarity NPD2935 Discontinued
0.8169 Intermediate Similarity NPD1511 Approved
0.8143 Intermediate Similarity NPD1243 Approved
0.8121 Intermediate Similarity NPD7075 Discontinued
0.8112 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8085 Intermediate Similarity NPD3750 Approved
0.8082 Intermediate Similarity NPD6599 Discontinued
0.8058 Intermediate Similarity NPD2796 Approved
0.8056 Intermediate Similarity NPD1512 Approved
0.8041 Intermediate Similarity NPD7819 Suspended
0.8041 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD2654 Approved
0.8014 Intermediate Similarity NPD2800 Approved
0.7973 Intermediate Similarity NPD1934 Approved
0.7973 Intermediate Similarity NPD6801 Discontinued
0.7967 Intermediate Similarity NPD74 Approved
0.7967 Intermediate Similarity NPD9266 Approved
0.7959 Intermediate Similarity NPD4380 Phase 2
0.7941 Intermediate Similarity NPD411 Approved
0.7933 Intermediate Similarity NPD7768 Phase 2
0.7919 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7919 Intermediate Similarity NPD2801 Approved
0.791 Intermediate Similarity NPD1019 Discontinued
0.7908 Intermediate Similarity NPD6232 Discontinued
0.7899 Intermediate Similarity NPD447 Suspended
0.7887 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7886 Intermediate Similarity NPD9264 Approved
0.7886 Intermediate Similarity NPD9263 Approved
0.7886 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7886 Intermediate Similarity NPD9267 Approved
0.7881 Intermediate Similarity NPD3749 Approved
0.7877 Intermediate Similarity NPD920 Approved
0.7867 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD3817 Phase 2
0.7847 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7815 Intermediate Similarity NPD3882 Suspended
0.7806 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7794 Intermediate Similarity NPD6832 Phase 2
0.7763 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD7473 Discontinued
0.7755 Intermediate Similarity NPD5403 Approved
0.7744 Intermediate Similarity NPD9269 Phase 2
0.774 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD5401 Approved
0.773 Intermediate Similarity NPD3748 Approved
0.771 Intermediate Similarity NPD9268 Approved
0.7698 Intermediate Similarity NPD943 Approved
0.7697 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD1296 Phase 2
0.763 Intermediate Similarity NPD3225 Approved
0.7606 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD2799 Discontinued
0.7597 Intermediate Similarity NPD9281 Approved
0.7586 Intermediate Similarity NPD4628 Phase 3
0.7586 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD5711 Approved
0.7564 Intermediate Similarity NPD5710 Approved
0.7562 Intermediate Similarity NPD5953 Discontinued
0.7561 Intermediate Similarity NPD9261 Approved
0.7547 Intermediate Similarity NPD7286 Phase 2
0.7518 Intermediate Similarity NPD1933 Approved
0.7518 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2344 Approved
0.75 Intermediate Similarity NPD1548 Phase 1
0.75 Intermediate Similarity NPD6959 Discontinued
0.7484 Intermediate Similarity NPD919 Approved
0.7483 Intermediate Similarity NPD7033 Discontinued
0.7483 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD1608 Approved
0.7468 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6166 Phase 2
0.7468 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD9494 Approved
0.7451 Intermediate Similarity NPD1465 Phase 2
0.7445 Intermediate Similarity NPD1164 Approved
0.7445 Intermediate Similarity NPD2797 Approved
0.7438 Intermediate Similarity NPD7054 Approved
0.7438 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD3268 Approved
0.7429 Intermediate Similarity NPD2313 Discontinued
0.741 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD5402 Approved
0.74 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD2798 Approved
0.7391 Intermediate Similarity NPD7472 Approved
0.7391 Intermediate Similarity NPD7074 Phase 3
0.7388 Intermediate Similarity NPD1778 Approved
0.7375 Intermediate Similarity NPD3818 Discontinued
0.7362 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD4308 Phase 3
0.7353 Intermediate Similarity NPD1481 Phase 2
0.7346 Intermediate Similarity NPD6797 Phase 2
0.731 Intermediate Similarity NPD6099 Approved
0.731 Intermediate Similarity NPD6100 Approved
0.7305 Intermediate Similarity NPD3764 Approved
0.7303 Intermediate Similarity NPD3226 Approved
0.7301 Intermediate Similarity NPD7251 Discontinued
0.7297 Intermediate Similarity NPD2309 Approved
0.7279 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD1610 Phase 2
0.7279 Intermediate Similarity NPD1535 Discovery
0.7273 Intermediate Similarity NPD5124 Phase 1
0.7273 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD17 Approved
0.7256 Intermediate Similarity NPD7808 Phase 3
0.7254 Intermediate Similarity NPD520 Approved
0.7252 Intermediate Similarity NPD1241 Discontinued
0.7226 Intermediate Similarity NPD3972 Approved
0.7222 Intermediate Similarity NPD5844 Phase 1
0.72 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD940 Approved
0.72 Intermediate Similarity NPD7390 Discontinued
0.72 Intermediate Similarity NPD846 Approved
0.7195 Intermediate Similarity NPD6559 Discontinued
0.7194 Intermediate Similarity NPD3267 Approved
0.7194 Intermediate Similarity NPD3266 Approved
0.7188 Intermediate Similarity NPD1358 Approved
0.7179 Intermediate Similarity NPD4288 Approved
0.7163 Intermediate Similarity NPD4908 Phase 1
0.7162 Intermediate Similarity NPD1652 Phase 2
0.7152 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2346 Discontinued
0.7134 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD4626 Approved
0.7122 Intermediate Similarity NPD1283 Approved
0.7114 Intermediate Similarity NPD7003 Approved
0.7111 Intermediate Similarity NPD1894 Discontinued
0.7109 Intermediate Similarity NPD3134 Approved
0.7107 Intermediate Similarity NPD5494 Approved
0.7097 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD4307 Phase 2
0.708 Intermediate Similarity NPD3847 Discontinued
0.7078 Intermediate Similarity NPD7458 Discontinued
0.7075 Intermediate Similarity NPD5408 Approved
0.7075 Intermediate Similarity NPD5405 Approved
0.7075 Intermediate Similarity NPD5406 Approved
0.7075 Intermediate Similarity NPD5404 Approved
0.7073 Intermediate Similarity NPD1729 Discontinued
0.707 Intermediate Similarity NPD5353 Approved
0.7063 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6798 Discontinued
0.7063 Intermediate Similarity NPD1247 Approved
0.7059 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD1201 Approved
0.6975 Remote Similarity NPD3926 Phase 2
0.6972 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6963 Remote Similarity NPD405 Clinical (unspecified phase)
0.6957 Remote Similarity NPD3496 Discontinued
0.6954 Remote Similarity NPD2354 Approved
0.6954 Remote Similarity NPD8090 Clinical (unspecified phase)
0.695 Remote Similarity NPD1470 Approved
0.6943 Remote Similarity NPD37 Approved
0.6929 Remote Similarity NPD4749 Approved
0.6923 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6355 Discontinued
0.6913 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6913 Remote Similarity NPD6005 Phase 3
0.6913 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6913 Remote Similarity NPD6002 Phase 3
0.6913 Remote Similarity NPD6004 Phase 3
0.6906 Remote Similarity NPD1281 Approved
0.6903 Remote Similarity NPD1653 Approved
0.6901 Remote Similarity NPD4287 Approved
0.6899 Remote Similarity NPD9697 Approved
0.6897 Remote Similarity NPD6233 Phase 2
0.6886 Remote Similarity NPD6104 Discontinued
0.6883 Remote Similarity NPD9509 Clinical (unspecified phase)
0.6883 Remote Similarity NPD2186 Approved
0.6879 Remote Similarity NPD196 Phase 1
0.6879 Remote Similarity NPD1876 Approved
0.6875 Remote Similarity NPD6971 Discontinued
0.6875 Remote Similarity NPD3027 Phase 3
0.6853 Remote Similarity NPD454 Approved
0.6852 Remote Similarity NPD7199 Phase 2
0.6849 Remote Similarity NPD1613 Approved
0.6849 Remote Similarity NPD1612 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   22616650
ChEMBL   CHEMBL504944
ZINC  

Physicochemical Properties

Molecular Weight:  198.05
ALogP:  -0.8037
MLogP:  1.9
XLogP:  0.736
# Rotatable Bonds:  7
Polar Surface Area:  75.99
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  14

Download Data

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