Natural Product: NPC103967

Natural Product ID:  NPC103967
Common Name:   3-Methoxy-2,5-Diphenylbenzene-1,4-Diol
IUPAC Name:   3-methoxy-2,5-diphenylbenzene-1,4-diol
Synonyms:  
Molecular Formula:   C19H16O3
Standard InCHIKey:  JZSWOSGTHVXPLU-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H16O3/c1-22-19-17(14-10-6-3-7-11-14)16(20)12-15(18(19)21)13-8-4-2-5-9-13/h2-12,20-21H,1H3
Canonical SMILES:  COc1c(c(O)cc(c1O)c1ccccc1)c1ccccc1
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
NPO33224 msx 47445 NA NA NA PMID[23301853]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT4735 Individual Protein Phosphodiesterase 4B Homo sapiens IC50 = 31000 nM 9784179
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 25 ug/ml 15387649

  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 NPC103967 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
0.9922 High Similarity NPC283009
0.9922 High Similarity NPC261873
0.9843 High Similarity NPC218884
0.9769 High Similarity NPC201145
0.9769 High Similarity NPC73535
0.9769 High Similarity NPC25111
0.9769 High Similarity NPC90615
0.9769 High Similarity NPC272157
0.9769 High Similarity NPC6262
0.9692 High Similarity NPC114155
0.9692 High Similarity NPC476639
0.9692 High Similarity NPC300846
0.9621 High Similarity NPC73505
0.9621 High Similarity NPC165026
0.9621 High Similarity NPC295719
0.9621 High Similarity NPC34431
0.9615 High Similarity NPC111655
0.9478 High Similarity NPC175838
0.9398 High Similarity NPC212942
0.9398 High Similarity NPC79622
0.9398 High Similarity NPC29868
0.9375 High Similarity NPC266691
0.9328 High Similarity NPC12668
0.9328 High Similarity NPC308768
0.9308 High Similarity NPC474356
0.9308 High Similarity NPC45715
0.9308 High Similarity NPC12275
0.9297 High Similarity NPC236760
0.9254 High Similarity NPC132804
0.9254 High Similarity NPC105847
0.9254 High Similarity NPC220344
0.9254 High Similarity NPC243759
0.9254 High Similarity NPC243996
0.9254 High Similarity NPC275061
0.9254 High Similarity NPC218131
0.9248 High Similarity NPC202846
0.9248 High Similarity NPC143139
0.9248 High Similarity NPC205442
0.9237 High Similarity NPC6451
0.9231 High Similarity NPC299221
0.9231 High Similarity NPC51840
0.9231 High Similarity NPC311680
0.9231 High Similarity NPC234488
0.9219 High Similarity NPC245060
0.9179 High Similarity NPC266006
0.9179 High Similarity NPC266453
0.9179 High Similarity NPC151656
0.9179 High Similarity NPC200935
0.9179 High Similarity NPC230919
0.9179 High Similarity NPC242715
0.9179 High Similarity NPC22902
0.9179 High Similarity NPC56329
0.9173 High Similarity NPC201357
0.9173 High Similarity NPC158142
0.9173 High Similarity NPC294884
0.9173 High Similarity NPC10314
0.9173 High Similarity NPC255147
0.9173 High Similarity NPC200557
0.9173 High Similarity NPC69029
0.9173 High Similarity NPC108198
0.9173 High Similarity NPC281521
0.916 High Similarity NPC232275
0.9154 High Similarity NPC10225
0.9154 High Similarity NPC190144
0.9154 High Similarity NPC58164
0.9104 High Similarity NPC30632
0.9098 High Similarity NPC160697
0.9098 High Similarity NPC125649
0.9084 High Similarity NPC224157
0.9084 High Similarity NPC192687
0.9077 High Similarity NPC154866
0.907 High Similarity NPC112596
0.9055 High Similarity NPC135414
0.9051 High Similarity NPC183709
0.903 High Similarity NPC313081
0.903 High Similarity NPC241241
0.9023 High Similarity NPC94236
0.9023 High Similarity NPC269528
0.9023 High Similarity NPC37196
0.9 High Similarity NPC246620
0.9 High Similarity NPC324112
0.9 High Similarity NPC159968
0.9 High Similarity NPC124452
0.9 High Similarity NPC82679
0.9 High Similarity NPC236791
0.9 High Similarity NPC170239
0.9 High Similarity NPC293054
0.9 High Similarity NPC74817
0.9 High Similarity NPC282000
0.9 High Similarity NPC275125
0.9 High Similarity NPC97937
0.9 High Similarity NPC266555
0.9 High Similarity NPC169474
0.8992 High Similarity NPC60885
0.8992 High Similarity NPC234400
0.8984 High Similarity NPC121115
0.8984 High Similarity NPC95168
0.8978 High Similarity NPC472089
0.8971 High Similarity NPC25966
0.8971 High Similarity NPC245207
0.8971 High Similarity NPC127218
0.8971 High Similarity NPC184613
0.8971 High Similarity NPC319647
0.8955 High Similarity NPC106215
0.8947 High Similarity NPC161203
0.8939 High Similarity NPC126836
0.8923 High Similarity NPC78974
0.8923 High Similarity NPC223953
0.8923 High Similarity NPC28730
0.8923 High Similarity NPC223136
0.8923 High Similarity NPC103823
0.8923 High Similarity NPC18924
0.8923 High Similarity NPC44748
0.8923 High Similarity NPC214406
0.8915 High Similarity NPC5796
0.8915 High Similarity NPC206487
0.8913 High Similarity NPC472087
0.8913 High Similarity NPC472088
0.8906 High Similarity NPC474864
0.8906 High Similarity NPC246967
0.8897 High Similarity NPC103976
0.8897 High Similarity NPC326797
0.8897 High Similarity NPC102904
0.8897 High Similarity NPC107551
0.8897 High Similarity NPC176051
0.8897 High Similarity NPC276490
0.8897 High Similarity NPC474282
0.8889 High Similarity NPC134968
0.8889 High Similarity NPC256262
0.8881 High Similarity NPC32778
0.8873 High Similarity NPC113790
0.8872 High Similarity NPC82503
0.8857 High Similarity NPC125617
0.8855 High Similarity NPC127587
0.8855 High Similarity NPC216836
0.8849 High Similarity NPC477616
0.8849 High Similarity NPC469630
0.8846 High Similarity NPC116907
0.8846 High Similarity NPC221077
0.8846 High Similarity NPC472093
0.8846 High Similarity NPC298757
0.8846 High Similarity NPC117214
0.8846 High Similarity NPC299584
0.8846 High Similarity NPC82483
0.8846 High Similarity NPC203133
0.8846 High Similarity NPC251855
0.8846 High Similarity NPC17943
0.8846 High Similarity NPC105925
0.8846 High Similarity NPC265483
0.8846 High Similarity NPC57490
0.8846 High Similarity NPC233410
0.8846 High Similarity NPC208950
0.8846 High Similarity NPC193544
0.8846 High Similarity NPC475169
0.8841 High Similarity NPC471389
0.8832 High Similarity NPC114171
0.8832 High Similarity NPC292882
0.8832 High Similarity NPC6300
0.8832 High Similarity NPC22517
0.8832 High Similarity NPC230124
0.8828 High Similarity NPC75713
0.8824 High Similarity NPC472334
0.8824 High Similarity NPC270456
0.8824 High Similarity NPC472336
0.8824 High Similarity NPC162659
0.8824 High Similarity NPC248727
0.8824 High Similarity NPC173660
0.8824 High Similarity NPC476698
0.8824 High Similarity NPC265433
0.8815 High Similarity NPC188378
0.8815 High Similarity NPC555
0.8815 High Similarity NPC206737
0.8815 High Similarity NPC469659
0.8815 High Similarity NPC289258
0.8815 High Similarity NPC7515
0.8815 High Similarity NPC56764
0.8815 High Similarity NPC276026
0.8815 High Similarity NPC209199
0.8806 High Similarity NPC161958
0.8806 High Similarity NPC14224
0.8806 High Similarity NPC127624
0.8806 High Similarity NPC228843
0.8806 High Similarity NPC202762
0.8806 High Similarity NPC86655
0.8797 High Similarity NPC220935
0.8797 High Similarity NPC214860
0.8797 High Similarity NPC229231
0.8794 High Similarity NPC126291
0.8788 High Similarity NPC63179
0.8788 High Similarity NPC28765
0.8779 High Similarity NPC76451
0.8777 High Similarity NPC107161
0.8777 High Similarity NPC323126
0.8769 High Similarity NPC183446
0.8768 High Similarity NPC61783
0.8768 High Similarity NPC472092
0.8768 High Similarity NPC472090
0.8768 High Similarity NPC472091
0.8768 High Similarity NPC254759
0.8768 High Similarity NPC284464

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC103967 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
0.8722 High Similarity NPD3027 Phase 3
0.8507 High Similarity NPD1529 Clinical (unspecified phase)
0.8433 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8394 Intermediate Similarity NPD1613 Approved
0.8394 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8309 Intermediate Similarity NPD4625 Phase 3
0.8134 Intermediate Similarity NPD4749 Approved
0.8102 Intermediate Similarity NPD4908 Phase 1
0.7986 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7899 Intermediate Similarity NPD3018 Phase 2
0.7857 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD1610 Phase 2
0.7843 Intermediate Similarity NPD2801 Approved
0.7834 Intermediate Similarity NPD6232 Discontinued
0.7829 Intermediate Similarity NPD228 Approved
0.7826 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD2861 Phase 2
0.7737 Intermediate Similarity NPD2982 Phase 2
0.7737 Intermediate Similarity NPD2983 Phase 2
0.771 Intermediate Similarity NPD5283 Phase 1
0.7702 Intermediate Similarity NPD5844 Phase 1
0.7688 Intermediate Similarity NPD7473 Discontinued
0.7687 Intermediate Similarity NPD1548 Phase 1
0.7674 Intermediate Similarity NPD4750 Phase 3
0.7664 Intermediate Similarity NPD2981 Phase 2
0.7662 Intermediate Similarity NPD1934 Approved
0.7643 Intermediate Similarity NPD6234 Discontinued
0.7622 Intermediate Similarity NPD3620 Phase 2
0.7622 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD6671 Approved
0.7548 Intermediate Similarity NPD37 Approved
0.7516 Intermediate Similarity NPD6166 Phase 2
0.7516 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD1653 Approved
0.7516 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD6100 Approved
0.7483 Intermediate Similarity NPD6099 Approved
0.7482 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6696 Suspended
0.7405 Intermediate Similarity NPD4966 Approved
0.7405 Intermediate Similarity NPD4967 Phase 2
0.7405 Intermediate Similarity NPD3021 Approved
0.7405 Intermediate Similarity NPD4965 Approved
0.7405 Intermediate Similarity NPD3022 Approved
0.7368 Intermediate Similarity NPD7635 Approved
0.7368 Intermediate Similarity NPD1511 Approved
0.7333 Intermediate Similarity NPD5177 Phase 3
0.7333 Intermediate Similarity NPD6674 Discontinued
0.7333 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD7199 Phase 2
0.7317 Intermediate Similarity NPD7228 Approved
0.7315 Intermediate Similarity NPD3540 Phase 1
0.7296 Intermediate Similarity NPD3882 Suspended
0.7273 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1512 Approved
0.726 Intermediate Similarity NPD1558 Phase 1
0.7252 Intermediate Similarity NPD2342 Discontinued
0.7248 Intermediate Similarity NPD3539 Phase 1
0.7239 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7202 Intermediate Similarity NPD7549 Discontinued
0.72 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD968 Approved
0.7171 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD1465 Phase 2
0.7162 Intermediate Similarity NPD1607 Approved
0.7162 Intermediate Similarity NPD4097 Suspended
0.716 Intermediate Similarity NPD6746 Phase 2
0.7143 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4060 Phase 1
0.7134 Intermediate Similarity NPD4005 Discontinued
0.7132 Intermediate Similarity NPD846 Approved
0.7132 Intermediate Similarity NPD940 Approved
0.7126 Intermediate Similarity NPD7074 Phase 3
0.7125 Intermediate Similarity NPD3817 Phase 2
0.7118 Intermediate Similarity NPD8054 Approved
0.7118 Intermediate Similarity NPD8053 Approved
0.7115 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD3818 Discontinued
0.7097 Intermediate Similarity NPD7447 Phase 1
0.7092 Intermediate Similarity NPD1091 Approved
0.7092 Intermediate Similarity NPD3705 Approved
0.7092 Intermediate Similarity NPD422 Phase 1
0.7092 Intermediate Similarity NPD1611 Approved
0.7083 Intermediate Similarity NPD6584 Phase 3
0.7078 Intermediate Similarity NPD7124 Phase 2
0.7071 Intermediate Similarity NPD4626 Approved
0.7066 Intermediate Similarity NPD7054 Approved
0.7059 Intermediate Similarity NPD1398 Phase 1
0.7055 Intermediate Similarity NPD5494 Approved
0.7054 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD1242 Phase 1
0.7052 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD2232 Approved
0.7042 Intermediate Similarity NPD2230 Approved
0.7042 Intermediate Similarity NPD2233 Approved
0.7037 Intermediate Similarity NPD4055 Discovery
0.7037 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD4357 Discontinued
0.7032 Intermediate Similarity NPD7213 Phase 3
0.7032 Intermediate Similarity NPD7212 Phase 2
0.7029 Intermediate Similarity NPD7340 Approved
0.7027 Intermediate Similarity NPD1240 Approved
0.7027 Intermediate Similarity NPD2238 Phase 2
0.7025 Intermediate Similarity NPD7261 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD7472 Approved
0.702 Intermediate Similarity NPD2935 Discontinued
0.7015 Intermediate Similarity NPD5451 Approved
0.7012 Intermediate Similarity NPD6959 Discontinued
0.7008 Intermediate Similarity NPD844 Approved
0.7007 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6111 Discontinued
0.7 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.6992 Remote Similarity NPD290 Approved
0.6987 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6982 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6981 Remote Similarity NPD4380 Phase 2
0.6981 Remote Similarity NPD4675 Approved
0.6981 Remote Similarity NPD4678 Approved
0.6978 Remote Similarity NPD5536 Phase 2
0.6975 Remote Similarity NPD6788 Approved
0.6974 Remote Similarity NPD7266 Discontinued
0.6959 Remote Similarity NPD6233 Phase 2
0.6959 Remote Similarity NPD2674 Phase 3
0.6957 Remote Similarity NPD709 Approved
0.6954 Remote Similarity NPD1510 Phase 2
0.6953 Remote Similarity NPD288 Approved
0.695 Remote Similarity NPD5846 Approved
0.695 Remote Similarity NPD6516 Phase 2
0.6948 Remote Similarity NPD3892 Phase 2
0.6944 Remote Similarity NPD2922 Phase 1
0.6944 Remote Similarity NPD8651 Approved
0.6943 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6941 Remote Similarity NPD6559 Discontinued
0.694 Remote Similarity NPD2684 Approved
0.6939 Remote Similarity NPD7095 Approved
0.6929 Remote Similarity NPD9296 Approved
0.6914 Remote Similarity NPD5402 Approved
0.6913 Remote Similarity NPD5837 Clinical (unspecified phase)
0.6903 Remote Similarity NPD2219 Phase 1
0.6903 Remote Similarity NPD6190 Approved
0.6901 Remote Similarity NPD3496 Discontinued
0.6897 Remote Similarity NPD2797 Approved
0.6892 Remote Similarity NPD6798 Discontinued
0.6883 Remote Similarity NPD3060 Approved
0.6882 Remote Similarity NPD6797 Phase 2
0.6879 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1651 Approved
0.6879 Remote Similarity NPD4160 Clinical (unspecified phase)
0.6879 Remote Similarity NPD1357 Approved
0.6879 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6875 Remote Similarity NPD6582 Phase 2
0.6875 Remote Similarity NPD6583 Phase 3
0.6871 Remote Similarity NPD7768 Phase 2
0.6867 Remote Similarity NPD3787 Discontinued
0.6867 Remote Similarity NPD5735 Approved
0.6863 Remote Similarity NPD5763 Approved
0.6863 Remote Similarity NPD5762 Approved
0.6852 Remote Similarity NPD6818 Clinical (unspecified phase)
0.6849 Remote Similarity NPD4624 Approved
0.6846 Remote Similarity NPD3020 Approved
0.6842 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6842 Remote Similarity NPD7240 Approved
0.6842 Remote Similarity NPD7251 Discontinued
0.6842 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6839 Remote Similarity NPD7466 Approved
0.6839 Remote Similarity NPD3750 Approved
0.6835 Remote Similarity NPD7157 Approved
0.6831 Remote Similarity NPD1778 Approved
0.6828 Remote Similarity NPD1283 Approved
0.6821 Remote Similarity NPD7090 Clinical (unspecified phase)
0.681 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6806 Remote Similarity NPD1608 Approved
0.6802 Remote Similarity NPD7808 Phase 3
0.68 Remote Similarity NPD943 Approved
0.68 Remote Similarity NPD7906 Approved
0.6797 Remote Similarity NPD1551 Phase 2
0.6795 Remote Similarity NPD2677 Approved
0.6795 Remote Similarity NPD5241 Discontinued
0.6781 Remote Similarity NPD3094 Phase 2
0.6779 Remote Similarity NPD3144 Approved
0.6779 Remote Similarity NPD5110 Phase 2
0.6779 Remote Similarity NPD3145 Approved
0.6779 Remote Similarity NPD5111 Phase 2
0.6779 Remote Similarity NPD5109 Approved
0.6776 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6776 Remote Similarity NPD4538 Approved
0.6776 Remote Similarity NPD4536 Approved
0.6774 Remote Similarity NPD1652 Phase 2
0.6772 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6772 Remote Similarity NPD7410 Clinical (unspecified phase)
0.677 Remote Similarity NPD6599 Discontinued
0.6766 Remote Similarity NPD7229 Phase 3
0.6763 Remote Similarity NPD4578 Approved
0.6763 Remote Similarity NPD4577 Approved
0.6761 Remote Similarity NPD5691 Approved

Structure

External Identifiers

PubChem CID   53244202
ChEMBL   CHEMBL2331810
ZINC  

Physicochemical Properties

Molecular Weight:  292.11
ALogP:  -0.9724
MLogP:  3.22
XLogP:  6.464
# Rotatable Bonds:  6
Polar Surface Area:  49.69
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  22

Download Data

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