Natural Product: NPC113089

Natural Product ID:  NPC113089
Common Name:   7,3',4'-Trimethoxyflavone
IUPAC Name:   2-(3,4-dimethoxyphenyl)-7-methoxychromen-4-one
Synonyms:   7,3',4'-Trimethoxyflavone
Molecular Formula:   C18H16O5
Standard InCHIKey:  VSFZYCDPDWSYSS-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C18H16O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-10H,1-3H3
Canonical SMILES:  COc1ccc2c(c1)oc(cc2=O)c1ccc(c(c1)OC)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
NPO12418 Myroxylon peruiferum Species Fabaceae Eukaryota Brazil PMID[10328294]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT668 Individual Protein P-glycoprotein 1 Homo sapiens IC50 = 1200 nM 24484240
NPT451 Organism Helicobacter pylori Helicobacter pylori MIC > 20 ug/ml 18579374

  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 NPC113089 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
0.9928 High Similarity NPC136278
0.9927 High Similarity NPC70853
0.9927 High Similarity NPC9966
0.9854 High Similarity NPC29536
0.9786 High Similarity NPC205522
0.9786 High Similarity NPC299923
0.9784 High Similarity NPC471590
0.9714 High Similarity NPC110639
0.9714 High Similarity NPC14958
0.9714 High Similarity NPC310259
0.9714 High Similarity NPC215932
0.9714 High Similarity NPC106461
0.9714 High Similarity NPC40818
0.9712 High Similarity NPC293201
0.9645 High Similarity NPC85233
0.9577 High Similarity NPC261548
0.9577 High Similarity NPC10304
0.9577 High Similarity NPC195202
0.9577 High Similarity NPC63256
0.9574 High Similarity NPC302408
0.9574 High Similarity NPC283002
0.9571 High Similarity NPC23955
0.9568 High Similarity NPC185607
0.9562 High Similarity NPC44573
0.9514 High Similarity NPC308451
0.951 High Similarity NPC69752
0.9507 High Similarity NPC117463
0.9507 High Similarity NPC62536
0.9507 High Similarity NPC12200
0.9507 High Similarity NPC470511
0.9507 High Similarity NPC33265
0.9504 High Similarity NPC165512
0.9448 High Similarity NPC39732
0.9448 High Similarity NPC60972
0.9448 High Similarity NPC40033
0.9444 High Similarity NPC259058
0.9444 High Similarity NPC201547
0.9444 High Similarity NPC5840
0.9444 High Similarity NPC189270
0.9444 High Similarity NPC50728
0.9444 High Similarity NPC166753
0.9441 High Similarity NPC476342
0.9437 High Similarity NPC195919
0.9437 High Similarity NPC231013
0.9437 High Similarity NPC216314
0.9437 High Similarity NPC120924
0.9429 High Similarity NPC214919
0.9429 High Similarity NPC124467
0.9416 High Similarity NPC77955
0.9384 High Similarity NPC186507
0.9384 High Similarity NPC472408
0.9379 High Similarity NPC474388
0.9379 High Similarity NPC472535
0.9379 High Similarity NPC474170
0.9379 High Similarity NPC236769
0.9379 High Similarity NPC226973
0.9379 High Similarity NPC208043
0.9375 High Similarity NPC48479
0.9375 High Similarity NPC238366
0.9375 High Similarity NPC183950
0.9375 High Similarity NPC137062
0.9375 High Similarity NPC159103
0.9375 High Similarity NPC177298
0.9375 High Similarity NPC287101
0.9375 High Similarity NPC181250
0.9375 High Similarity NPC52005
0.9375 High Similarity NPC223579
0.9375 High Similarity NPC328119
0.9362 High Similarity NPC476054
0.9357 High Similarity NPC58229
0.932 High Similarity NPC284353
0.932 High Similarity NPC20830
0.932 High Similarity NPC256612
0.9315 High Similarity NPC55205
0.9315 High Similarity NPC166201
0.9315 High Similarity NPC68882
0.9315 High Similarity NPC134677
0.931 High Similarity NPC219330
0.931 High Similarity NPC177839
0.931 High Similarity NPC306821
0.9306 High Similarity NPC120464
0.9296 High Similarity NPC182842
0.9257 High Similarity NPC265511
0.9252 High Similarity NPC280937
0.9252 High Similarity NPC279930
0.9252 High Similarity NPC86485
0.9252 High Similarity NPC179126
0.9252 High Similarity NPC472915
0.9252 High Similarity NPC236223
0.9252 High Similarity NPC78326
0.9252 High Similarity NPC270620
0.9252 High Similarity NPC183878
0.9252 High Similarity NPC274327
0.9252 High Similarity NPC145379
0.9252 High Similarity NPC255350
0.9252 High Similarity NPC47781
0.9252 High Similarity NPC176775
0.9252 High Similarity NPC160951
0.9252 High Similarity NPC69394
0.9252 High Similarity NPC128961
0.9252 High Similarity NPC231018
0.9252 High Similarity NPC22519
0.9247 High Similarity NPC76376
0.9247 High Similarity NPC252933
0.9247 High Similarity NPC200740
0.9247 High Similarity NPC54394
0.9247 High Similarity NPC125062
0.9241 High Similarity NPC474648
0.9236 High Similarity NPC108406
0.9236 High Similarity NPC474999
0.9225 High Similarity NPC119663
0.9209 High Similarity NPC254741
0.9197 High Similarity NPC101294
0.9197 High Similarity NPC473655
0.9195 High Similarity NPC476981
0.9195 High Similarity NPC19097
0.9189 High Similarity NPC234255
0.9189 High Similarity NPC255807
0.9189 High Similarity NPC31018
0.9189 High Similarity NPC196439
0.9189 High Similarity NPC128863
0.9189 High Similarity NPC50715
0.9189 High Similarity NPC208197
0.9189 High Similarity NPC227325
0.9189 High Similarity NPC163780
0.9189 High Similarity NPC2476
0.9189 High Similarity NPC201136
0.9189 High Similarity NPC122623
0.9189 High Similarity NPC167815
0.9189 High Similarity NPC92659
0.9189 High Similarity NPC276059
0.9189 High Similarity NPC189960
0.9189 High Similarity NPC146165
0.9189 High Similarity NPC138360
0.9189 High Similarity NPC241774
0.9189 High Similarity NPC213622
0.9189 High Similarity NPC280339
0.9189 High Similarity NPC32557
0.9189 High Similarity NPC4455
0.9189 High Similarity NPC34725
0.9189 High Similarity NPC183597
0.9184 High Similarity NPC82325
0.9184 High Similarity NPC301323
0.9184 High Similarity NPC120163
0.9184 High Similarity NPC292460
0.9184 High Similarity NPC222830
0.9184 High Similarity NPC275836
0.9184 High Similarity NPC100887
0.9184 High Similarity NPC301123
0.9184 High Similarity NPC198826
0.9184 High Similarity NPC57030
0.9184 High Similarity NPC275722
0.9184 High Similarity NPC256283
0.9184 High Similarity NPC212678
0.9184 High Similarity NPC477231
0.9184 High Similarity NPC162313
0.9184 High Similarity NPC239128
0.9184 High Similarity NPC131624
0.9184 High Similarity NPC293183
0.9184 High Similarity NPC25270
0.9184 High Similarity NPC71334
0.9184 High Similarity NPC279989
0.9184 High Similarity NPC187498
0.9184 High Similarity NPC156222
0.9184 High Similarity NPC257648
0.9184 High Similarity NPC188203
0.9184 High Similarity NPC83508
0.9184 High Similarity NPC241498
0.9184 High Similarity NPC471982
0.9178 High Similarity NPC338131
0.9172 High Similarity NPC183236
0.9167 High Similarity NPC12377
0.913 High Similarity NPC292998
0.9128 High Similarity NPC474983
0.9128 High Similarity NPC472916
0.9128 High Similarity NPC49824
0.9128 High Similarity NPC178854
0.9128 High Similarity NPC472455
0.9128 High Similarity NPC180340
0.9128 High Similarity NPC257277
0.9124 High Similarity NPC278556
0.9124 High Similarity NPC284424
0.9122 High Similarity NPC476289
0.9122 High Similarity NPC162351
0.9122 High Similarity NPC250822
0.9122 High Similarity NPC246204
0.9122 High Similarity NPC75279
0.9122 High Similarity NPC473664
0.9122 High Similarity NPC18727
0.9122 High Similarity NPC276409
0.9122 High Similarity NPC58382
0.9116 High Similarity NPC31363
0.9116 High Similarity NPC198615
0.9116 High Similarity NPC133953
0.9116 High Similarity NPC149614
0.9116 High Similarity NPC50403
0.9116 High Similarity NPC117579
0.9116 High Similarity NPC28274
0.9116 High Similarity NPC262623
0.9116 High Similarity NPC474663

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC113089 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
0.9252 High Similarity NPD2801 Approved
0.9189 High Similarity NPD3817 Phase 2
0.9071 High Similarity NPD2796 Approved
0.9054 High Similarity NPD1934 Approved
0.9028 High Similarity NPD1511 Approved
0.8947 High Similarity NPD5494 Approved
0.8904 High Similarity NPD1512 Approved
0.8874 High Similarity NPD3882 Suspended
0.8867 High Similarity NPD2393 Clinical (unspecified phase)
0.8707 High Similarity NPD4378 Clinical (unspecified phase)
0.8639 High Similarity NPD6799 Approved
0.8608 High Similarity NPD3818 Discontinued
0.8599 High Similarity NPD6168 Clinical (unspecified phase)
0.8599 High Similarity NPD6166 Phase 2
0.8599 High Similarity NPD6167 Clinical (unspecified phase)
0.8553 High Similarity NPD7054 Approved
0.8535 High Similarity NPD3926 Phase 2
0.8526 High Similarity NPD1247 Approved
0.8516 High Similarity NPD919 Approved
0.85 High Similarity NPD7472 Approved
0.8472 Intermediate Similarity NPD1510 Phase 2
0.8467 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8425 Intermediate Similarity NPD1549 Phase 2
0.8421 Intermediate Similarity NPD4380 Phase 2
0.8385 Intermediate Similarity NPD7074 Phase 3
0.8377 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8377 Intermediate Similarity NPD7819 Suspended
0.8356 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8356 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD7808 Phase 3
0.8333 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD6797 Phase 2
0.8322 Intermediate Similarity NPD1240 Approved
0.8312 Intermediate Similarity NPD6801 Discontinued
0.8301 Intermediate Similarity NPD6599 Discontinued
0.8282 Intermediate Similarity NPD7251 Discontinued
0.8269 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8264 Intermediate Similarity NPD1933 Approved
0.8239 Intermediate Similarity NPD6232 Discontinued
0.8232 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8219 Intermediate Similarity NPD3748 Approved
0.8217 Intermediate Similarity NPD7075 Discontinued
0.8207 Intermediate Similarity NPD1607 Approved
0.8205 Intermediate Similarity NPD5402 Approved
0.8199 Intermediate Similarity NPD7473 Discontinued
0.8129 Intermediate Similarity NPD7411 Suspended
0.8121 Intermediate Similarity NPD1243 Approved
0.8105 Intermediate Similarity NPD920 Approved
0.8105 Intermediate Similarity NPD5403 Approved
0.8098 Intermediate Similarity NPD5844 Phase 1
0.8092 Intermediate Similarity NPD5401 Approved
0.8054 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8014 Intermediate Similarity NPD447 Suspended
0.7975 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7974 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7961 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD3750 Approved
0.7945 Intermediate Similarity NPD943 Approved
0.7931 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD6832 Phase 2
0.7911 Intermediate Similarity NPD1465 Phase 2
0.7891 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7879 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.784 Intermediate Similarity NPD6959 Discontinued
0.7826 Intermediate Similarity NPD5536 Phase 2
0.7801 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.78 Intermediate Similarity NPD1551 Phase 2
0.78 Intermediate Similarity NPD2935 Discontinued
0.7784 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7744 Intermediate Similarity NPD5242 Approved
0.7738 Intermediate Similarity NPD6559 Discontinued
0.7702 Intermediate Similarity NPD7768 Phase 2
0.7697 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD2313 Discontinued
0.7677 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7673 Intermediate Similarity NPD6386 Approved
0.7673 Intermediate Similarity NPD6385 Approved
0.7671 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7655 Intermediate Similarity NPD2798 Approved
0.7654 Intermediate Similarity NPD3749 Approved
0.7651 Intermediate Similarity NPD230 Phase 1
0.7647 Intermediate Similarity NPD2800 Approved
0.7647 Intermediate Similarity NPD2654 Approved
0.764 Intermediate Similarity NPD5353 Approved
0.7622 Intermediate Similarity NPD7199 Phase 2
0.7616 Intermediate Similarity NPD2799 Discontinued
0.7603 Intermediate Similarity NPD3018 Phase 2
0.7603 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7597 Intermediate Similarity NPD4628 Phase 3
0.7597 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD1613 Approved
0.7547 Intermediate Similarity NPD3226 Approved
0.753 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2532 Approved
0.7516 Intermediate Similarity NPD2344 Approved
0.7516 Intermediate Similarity NPD2346 Discontinued
0.7516 Intermediate Similarity NPD2534 Approved
0.7516 Intermediate Similarity NPD2533 Approved
0.75 Intermediate Similarity NPD2981 Phase 2
0.75 Intermediate Similarity NPD3027 Phase 3
0.75 Intermediate Similarity NPD3972 Approved
0.75 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD2403 Approved
0.7467 Intermediate Similarity NPD4307 Phase 2
0.7466 Intermediate Similarity NPD3266 Approved
0.7466 Intermediate Similarity NPD3267 Approved
0.7466 Intermediate Similarity NPD1203 Approved
0.7451 Intermediate Similarity NPD6099 Approved
0.7451 Intermediate Similarity NPD6100 Approved
0.7448 Intermediate Similarity NPD2983 Phase 2
0.7448 Intermediate Similarity NPD2982 Phase 2
0.7448 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7444 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7415 Intermediate Similarity NPD1019 Discontinued
0.7413 Intermediate Similarity NPD17 Approved
0.741 Intermediate Similarity NPD1241 Discontinued
0.7396 Intermediate Similarity NPD3751 Discontinued
0.7386 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7384 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD9717 Approved
0.7378 Intermediate Similarity NPD5019 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD1653 Approved
0.7368 Intermediate Similarity NPD6651 Approved
0.7368 Intermediate Similarity NPD5953 Discontinued
0.7365 Intermediate Similarity NPD9494 Approved
0.7365 Intermediate Similarity NPD3787 Discontinued
0.7353 Intermediate Similarity NPD7286 Phase 2
0.7333 Intermediate Similarity NPD3268 Approved
0.7333 Intermediate Similarity NPD1296 Phase 2
0.7325 Intermediate Similarity NPD2309 Approved
0.7301 Intermediate Similarity NPD6844 Discontinued
0.7301 Intermediate Similarity NPD37 Approved
0.729 Intermediate Similarity NPD1471 Phase 3
0.7286 Intermediate Similarity NPD5283 Phase 1
0.7273 Intermediate Similarity NPD4967 Phase 2
0.7273 Intermediate Similarity NPD1548 Phase 1
0.7273 Intermediate Similarity NPD7033 Discontinued
0.7273 Intermediate Similarity NPD4308 Phase 3
0.7273 Intermediate Similarity NPD4965 Approved
0.7273 Intermediate Similarity NPD4966 Approved
0.7261 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.726 Intermediate Similarity NPD1608 Approved
0.725 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD4357 Discontinued
0.7233 Intermediate Similarity NPD7390 Discontinued
0.7232 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD2797 Approved
0.7219 Intermediate Similarity NPD411 Approved
0.7215 Intermediate Similarity NPD3887 Approved
0.7215 Intermediate Similarity NPD6190 Approved
0.7212 Intermediate Similarity NPD4288 Approved
0.72 Intermediate Similarity NPD4908 Phase 1
0.7192 Intermediate Similarity NPD422 Phase 1
0.7188 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD3146 Approved
0.7186 Intermediate Similarity NPD6234 Discontinued
0.7179 Intermediate Similarity NPD2353 Approved
0.7179 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD3225 Approved
0.7162 Intermediate Similarity NPD1876 Approved
0.7134 Intermediate Similarity NPD5890 Approved
0.7134 Intermediate Similarity NPD5889 Approved
0.7126 Intermediate Similarity NPD7685 Pre-registration
0.7126 Intermediate Similarity NPD6971 Discontinued
0.7124 Intermediate Similarity NPD3142 Approved
0.7124 Intermediate Similarity NPD3140 Approved
0.7115 Intermediate Similarity NPD3539 Phase 1
0.7108 Intermediate Similarity NPD5978 Approved
0.7108 Intermediate Similarity NPD5977 Approved
0.7105 Intermediate Similarity NPD6798 Discontinued
0.7105 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7103 Intermediate Similarity NPD9268 Approved
0.7093 Intermediate Similarity NPD2163 Approved
0.7091 Intermediate Similarity NPD6280 Approved
0.7091 Intermediate Similarity NPD6279 Approved
0.7089 Intermediate Similarity NPD1652 Phase 2
0.7088 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4662 Approved
0.7081 Intermediate Similarity NPD4661 Approved
0.7081 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1610 Phase 2
0.7073 Intermediate Similarity NPD6585 Discontinued
0.7072 Intermediate Similarity NPD4363 Phase 3
0.7072 Intermediate Similarity NPD4360 Phase 2
0.707 Intermediate Similarity NPD3540 Phase 1
0.7062 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6233 Phase 2
0.7059 Intermediate Similarity NPD7229 Phase 3
0.7056 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7039 Approved
0.7029 Intermediate Similarity NPD7038 Approved
0.7027 Intermediate Similarity NPD9269 Phase 2
0.7022 Intermediate Similarity NPD8434 Phase 2
0.7012 Intermediate Similarity NPD7458 Discontinued
0.7 Intermediate Similarity NPD5307 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   154227
ChEMBL   CHEMBL13473
ZINC  

Physicochemical Properties

Molecular Weight:  312.10
ALogP:  -0.659
MLogP:  2.89
XLogP:  3.124
# Rotatable Bonds:  7
Polar Surface Area:  53.99
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  23

Download Data

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