Natural Product: NPC266691

Natural Product ID:  NPC266691
Common Name:   2-(2-Hydroxy-3,5-Dimethoxyphenethyl)Phenol
IUPAC Name:   2-[2-(2-hydroxyphenyl)ethyl]-4,6-dimethoxyphenol
Synonyms:  
Molecular Formula:   C16H18O4
Standard InCHIKey:  SOQFHAYSPCFCHG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H18O4/c1-19-13-9-12(16(18)15(10-13)20-2)8-7-11-5-3-4-6-14(11)17/h3-6,9-10,17-18H,7-8H2,1-2H3
Canonical SMILES:  COc1cc(CCc2ccccc2O)c(c(c1)OC)O
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
NPO5635 Bauhinia purpurea Species Fabaceae Eukaryota roots Phitsanulok Province, Thailand 2004-MAY PMID[17480099]
NPO809 Leitneria floridana Species Simaroubaceae Eukaryota UNPD*
NPO5635 Bauhinia purpurea Species Fabaceae Eukaryota UNPD*
NPO1490 Goldfussia yunnanensis NA NA NA UNPD*
NPO8977 Notholaena aschenborniana Species Pteridaceae Eukaryota UNPD*
NPO3357 Alnus cordata Species Betulaceae Eukaryota UNPD*
NPO25475 Syphonota geographica Species Aplysiidae Eukaryota UNPD*
NPO8807 Laurentia longiflora NA NA NA UNPD*
NPO9881 Petrosia hebes Species Petrosiidae Eukaryota UNPD*
NPO9608 Lepraria citrina Species Stereocaulaceae Eukaryota UNPD*
NPO6828 Purpura aperta Species Muricidae Eukaryota UNPD*
NPO27517 Crinum latifolium Species Amaryllidaceae Eukaryota UNPD*
NPO2455 Thermopsis mollis Species Fabaceae Eukaryota UNPD*
NPO4382 Elmerrillia papuana NA NA NA UNPD*
NPO4628 Aloe deltoideodonta Species Asphodelaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis MIC = 91200 nM 17480099
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 > 72900 nM 17480099
NPT20 Organism Candida albicans Candida albicans IC50 > 182400 nM 17480099
NPT91 Cell Line KB Homo sapiens IC50 > 72900 nM 17480099

  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 NPC266691 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 NPC51840
0.9837 High Similarity NPC311680
0.9837 High Similarity NPC234488
0.9837 High Similarity NPC299221
0.9756 High Similarity NPC10225
0.9756 High Similarity NPC58164
0.968 High Similarity NPC6451
0.9672 High Similarity NPC112596
0.96 High Similarity NPC12275
0.96 High Similarity NPC45715
0.96 High Similarity NPC232275
0.96 High Similarity NPC474356
0.9593 High Similarity NPC293054
0.9593 High Similarity NPC82679
0.9593 High Similarity NPC169474
0.9593 High Similarity NPC282000
0.9593 High Similarity NPC324112
0.9593 High Similarity NPC246620
0.9593 High Similarity NPC236760
0.9593 High Similarity NPC124452
0.9593 High Similarity NPC74817
0.9593 High Similarity NPC159968
0.9593 High Similarity NPC236791
0.9587 High Similarity NPC121115
0.9587 High Similarity NPC95168
0.952 High Similarity NPC224157
0.952 High Similarity NPC192687
0.9512 High Similarity NPC44748
0.9512 High Similarity NPC78974
0.9512 High Similarity NPC223136
0.9512 High Similarity NPC214406
0.9512 High Similarity NPC103823
0.9512 High Similarity NPC18924
0.9512 High Similarity NPC28730
0.9504 High Similarity NPC135414
0.9453 High Similarity NPC134968
0.9453 High Similarity NPC201357
0.9453 High Similarity NPC283009
0.9453 High Similarity NPC255147
0.9453 High Similarity NPC281521
0.9453 High Similarity NPC261873
0.944 High Similarity NPC190144
0.9435 High Similarity NPC216836
0.9431 High Similarity NPC105925
0.9431 High Similarity NPC265483
0.9431 High Similarity NPC234400
0.9431 High Similarity NPC475169
0.9431 High Similarity NPC208950
0.9431 High Similarity NPC17943
0.9431 High Similarity NPC251855
0.9431 High Similarity NPC221077
0.9431 High Similarity NPC116907
0.9431 High Similarity NPC233410
0.9431 High Similarity NPC203133
0.9431 High Similarity NPC299584
0.9431 High Similarity NPC57490
0.9431 High Similarity NPC298757
0.9431 High Similarity NPC82483
0.9431 High Similarity NPC117214
0.9431 High Similarity NPC472093
0.9431 High Similarity NPC193544
0.9431 High Similarity NPC60885
0.9421 High Similarity NPC75713
0.938 High Similarity NPC472334
0.938 High Similarity NPC472336
0.9375 High Similarity NPC103967
0.9365 High Similarity NPC126836
0.9365 High Similarity NPC214860
0.9365 High Similarity NPC220935
0.936 High Similarity NPC154866
0.936 High Similarity NPC28765
0.935 High Similarity NPC183446
0.9344 High Similarity NPC246967
0.9344 High Similarity NPC474864
0.9308 High Similarity NPC176051
0.9308 High Similarity NPC272157
0.9308 High Similarity NPC6262
0.9308 High Similarity NPC326797
0.9308 High Similarity NPC276490
0.9308 High Similarity NPC107551
0.9308 High Similarity NPC103976
0.9308 High Similarity NPC73535
0.9308 High Similarity NPC474282
0.9308 High Similarity NPC201145
0.9308 High Similarity NPC25111
0.9308 High Similarity NPC90615
0.9308 High Similarity NPC102904
0.9302 High Similarity NPC472337
0.9297 High Similarity NPC37196
0.9297 High Similarity NPC94236
0.9297 High Similarity NPC269528
0.9286 High Similarity NPC45824
0.9286 High Similarity NPC170844
0.9286 High Similarity NPC158477
0.9286 High Similarity NPC476968
0.9286 High Similarity NPC212015
0.928 High Similarity NPC266555
0.928 High Similarity NPC252131
0.928 High Similarity NPC127587
0.9268 High Similarity NPC197757
0.9268 High Similarity NPC282496
0.9268 High Similarity NPC228922
0.9268 High Similarity NPC233526
0.9268 High Similarity NPC136319
0.9237 High Similarity NPC79622
0.9237 High Similarity NPC212942
0.9237 High Similarity NPC245207
0.9237 High Similarity NPC127218
0.9237 High Similarity NPC25966
0.9237 High Similarity NPC319647
0.9237 High Similarity NPC29868
0.9231 High Similarity NPC476639
0.9231 High Similarity NPC114155
0.9231 High Similarity NPC300846
0.9225 High Similarity NPC106215
0.9219 High Similarity NPC127624
0.9219 High Similarity NPC218884
0.9219 High Similarity NPC161203
0.9219 High Similarity NPC86655
0.9219 High Similarity NPC202762
0.9206 High Similarity NPC186843
0.9206 High Similarity NPC98631
0.9206 High Similarity NPC63179
0.9206 High Similarity NPC470213
0.9206 High Similarity NPC206615
0.92 High Similarity NPC223953
0.92 High Similarity NPC245060
0.92 High Similarity NPC76451
0.9187 High Similarity NPC71579
0.9187 High Similarity NPC262253
0.9187 High Similarity NPC473411
0.9187 High Similarity NPC41562
0.9167 High Similarity NPC284464
0.9167 High Similarity NPC254759
0.9167 High Similarity NPC295719
0.9167 High Similarity NPC160283
0.9167 High Similarity NPC165026
0.9167 High Similarity NPC34431
0.9167 High Similarity NPC73505
0.9154 High Similarity NPC111655
0.9154 High Similarity NPC474206
0.9154 High Similarity NPC112939
0.9154 High Similarity NPC470356
0.9154 High Similarity NPC94750
0.9154 High Similarity NPC121812
0.9154 High Similarity NPC195022
0.9154 High Similarity NPC256262
0.9154 High Similarity NPC112246
0.9147 High Similarity NPC168059
0.9147 High Similarity NPC229442
0.9147 High Similarity NPC475840
0.9147 High Similarity NPC32778
0.9141 High Similarity NPC474017
0.9127 High Similarity NPC242032
0.9127 High Similarity NPC50368
0.9127 High Similarity NPC210355
0.912 High Similarity NPC33654
0.9106 High Similarity NPC285289
0.9098 High Similarity NPC471389
0.9091 High Similarity NPC292882
0.9091 High Similarity NPC19869
0.9091 High Similarity NPC30951
0.9091 High Similarity NPC6369
0.9084 High Similarity NPC474639
0.9084 High Similarity NPC202846
0.9084 High Similarity NPC306441
0.9084 High Similarity NPC143139
0.9084 High Similarity NPC476698
0.9084 High Similarity NPC265433
0.9084 High Similarity NPC205442
0.9084 High Similarity NPC173660
0.9084 High Similarity NPC16435
0.9084 High Similarity NPC227503
0.9084 High Similarity NPC162659
0.9084 High Similarity NPC270456
0.9084 High Similarity NPC230734
0.9084 High Similarity NPC248727
0.9077 High Similarity NPC555
0.9077 High Similarity NPC276026
0.9077 High Similarity NPC7515
0.9077 High Similarity NPC206737
0.9077 High Similarity NPC289258
0.9077 High Similarity NPC469659
0.9077 High Similarity NPC317380
0.9077 High Similarity NPC310854
0.9077 High Similarity NPC188378
0.9077 High Similarity NPC56764
0.907 High Similarity NPC253105
0.907 High Similarity NPC201587
0.9062 High Similarity NPC229231
0.904 High Similarity NPC206487
0.904 High Similarity NPC5796
0.903 High Similarity NPC472335
0.903 High Similarity NPC107161
0.903 High Similarity NPC472332
0.903 High Similarity NPC175838
0.9024 High Similarity NPC166759
0.9023 High Similarity NPC259519
0.9015 High Similarity NPC211549
0.9008 High Similarity NPC61946

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC266691 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
0.9286 High Similarity NPD3027 Phase 3
0.8906 High Similarity NPD1529 Clinical (unspecified phase)
0.8828 High Similarity NPD1530 Clinical (unspecified phase)
0.8779 High Similarity NPD1613 Approved
0.8779 High Similarity NPD1612 Clinical (unspecified phase)
0.8397 Intermediate Similarity NPD3018 Phase 2
0.8231 Intermediate Similarity NPD2983 Phase 2
0.8231 Intermediate Similarity NPD2982 Phase 2
0.8211 Intermediate Similarity NPD228 Approved
0.8163 Intermediate Similarity NPD2801 Approved
0.8154 Intermediate Similarity NPD2981 Phase 2
0.808 Intermediate Similarity NPD5283 Phase 1
0.806 Intermediate Similarity NPD4908 Phase 1
0.8 Intermediate Similarity NPD4625 Phase 3
0.7973 Intermediate Similarity NPD1934 Approved
0.7955 Intermediate Similarity NPD4749 Approved
0.7955 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD6671 Approved
0.7941 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD1610 Phase 2
0.7907 Intermediate Similarity NPD1548 Phase 1
0.7852 Intermediate Similarity NPD2861 Phase 2
0.7823 Intermediate Similarity NPD1653 Approved
0.78 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.776 Intermediate Similarity NPD3022 Approved
0.776 Intermediate Similarity NPD3021 Approved
0.7746 Intermediate Similarity NPD3540 Phase 1
0.7697 Intermediate Similarity NPD3882 Suspended
0.7681 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD3539 Phase 1
0.7671 Intermediate Similarity NPD1511 Approved
0.7619 Intermediate Similarity NPD4750 Phase 3
0.7597 Intermediate Similarity NPD6234 Discontinued
0.7582 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD6166 Phase 2
0.758 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD1558 Phase 1
0.7568 Intermediate Similarity NPD1512 Approved
0.7556 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD1091 Approved
0.7534 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.752 Intermediate Similarity NPD968 Approved
0.7517 Intermediate Similarity NPD5177 Phase 3
0.75 Intermediate Similarity NPD37 Approved
0.748 Intermediate Similarity NPD940 Approved
0.748 Intermediate Similarity NPD846 Approved
0.7452 Intermediate Similarity NPD6232 Discontinued
0.745 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7447 Intermediate Similarity NPD3620 Phase 2
0.7447 Intermediate Similarity NPD4060 Phase 1
0.7432 Intermediate Similarity NPD4357 Discontinued
0.7431 Intermediate Similarity NPD2935 Discontinued
0.7429 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD5536 Phase 2
0.7419 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD3705 Approved
0.7407 Intermediate Similarity NPD422 Phase 1
0.7403 Intermediate Similarity NPD3817 Phase 2
0.7398 Intermediate Similarity NPD1242 Phase 1
0.7391 Intermediate Similarity NPD7074 Phase 3
0.7375 Intermediate Similarity NPD3818 Discontinued
0.7372 Intermediate Similarity NPD6696 Suspended
0.7372 Intermediate Similarity NPD2922 Phase 1
0.7368 Intermediate Similarity NPD4678 Approved
0.7368 Intermediate Similarity NPD4675 Approved
0.7365 Intermediate Similarity NPD7124 Phase 2
0.7355 Intermediate Similarity NPD4965 Approved
0.7355 Intermediate Similarity NPD4966 Approved
0.7355 Intermediate Similarity NPD4967 Phase 2
0.7333 Intermediate Similarity NPD3496 Discontinued
0.7329 Intermediate Similarity NPD5844 Phase 1
0.7329 Intermediate Similarity NPD7054 Approved
0.7324 Intermediate Similarity NPD1240 Approved
0.7323 Intermediate Similarity NPD290 Approved
0.7312 Intermediate Similarity NPD7473 Discontinued
0.731 Intermediate Similarity NPD6099 Approved
0.731 Intermediate Similarity NPD6100 Approved
0.7303 Intermediate Similarity NPD4005 Discontinued
0.7297 Intermediate Similarity NPD2219 Phase 1
0.7284 Intermediate Similarity NPD7472 Approved
0.7279 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD3060 Approved
0.7278 Intermediate Similarity NPD7199 Phase 2
0.7273 Intermediate Similarity NPD9296 Approved
0.7267 Intermediate Similarity NPD7228 Approved
0.7267 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD2684 Approved
0.726 Intermediate Similarity NPD7266 Discontinued
0.726 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD4380 Phase 2
0.7254 Intermediate Similarity NPD2674 Phase 3
0.7241 Intermediate Similarity NPD1510 Phase 2
0.723 Intermediate Similarity NPD3892 Phase 2
0.7226 Intermediate Similarity NPD2230 Approved
0.7226 Intermediate Similarity NPD2233 Approved
0.7226 Intermediate Similarity NPD2232 Approved
0.7226 Intermediate Similarity NPD1465 Phase 2
0.7222 Intermediate Similarity NPD1607 Approved
0.7215 Intermediate Similarity NPD5494 Approved
0.7203 Intermediate Similarity NPD943 Approved
0.7203 Intermediate Similarity NPD2238 Phase 2
0.72 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD4055 Discovery
0.7188 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7185 Intermediate Similarity NPD1357 Approved
0.7179 Intermediate Similarity NPD5402 Approved
0.7176 Intermediate Similarity NPD7635 Approved
0.7176 Intermediate Similarity NPD7843 Approved
0.7172 Intermediate Similarity NPD6111 Discontinued
0.7171 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD6674 Discontinued
0.7153 Intermediate Similarity NPD230 Phase 1
0.7152 Intermediate Similarity NPD7549 Discontinued
0.7152 Intermediate Similarity NPD7447 Phase 1
0.7143 Intermediate Similarity NPD7157 Approved
0.7134 Intermediate Similarity NPD6797 Phase 2
0.7122 Intermediate Similarity NPD8651 Approved
0.7114 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD7251 Discontinued
0.7086 Intermediate Similarity NPD7212 Phase 2
0.7086 Intermediate Similarity NPD7213 Phase 3
0.7078 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2860 Approved
0.7073 Intermediate Similarity NPD844 Approved
0.7073 Intermediate Similarity NPD2859 Approved
0.707 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD2677 Approved
0.7067 Intermediate Similarity NPD6190 Approved
0.7066 Intermediate Similarity NPD8053 Approved
0.7066 Intermediate Similarity NPD8054 Approved
0.7063 Intermediate Similarity NPD5111 Phase 2
0.7063 Intermediate Similarity NPD3145 Approved
0.7063 Intermediate Similarity NPD5109 Approved
0.7063 Intermediate Similarity NPD5110 Phase 2
0.7063 Intermediate Similarity NPD3144 Approved
0.7055 Intermediate Similarity NPD4538 Approved
0.7055 Intermediate Similarity NPD4536 Approved
0.7055 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7048 Intermediate Similarity NPD7808 Phase 3
0.7047 Intermediate Similarity NPD4236 Phase 3
0.7047 Intermediate Similarity NPD4237 Approved
0.7047 Intermediate Similarity NPD1652 Phase 2
0.7042 Intermediate Similarity NPD600 Approved
0.7042 Intermediate Similarity NPD596 Approved
0.704 Intermediate Similarity NPD3020 Approved
0.7039 Intermediate Similarity NPD4123 Phase 3
0.7034 Intermediate Similarity NPD447 Suspended
0.703 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD1611 Approved
0.7027 Intermediate Similarity NPD5762 Approved
0.7027 Intermediate Similarity NPD5763 Approved
0.7027 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6584 Phase 3
0.7015 Intermediate Similarity NPD709 Approved
0.7014 Intermediate Similarity NPD840 Approved
0.7014 Intermediate Similarity NPD839 Approved
0.7014 Intermediate Similarity NPD6233 Phase 2
0.7007 Intermediate Similarity NPD4626 Approved
0.7006 Intermediate Similarity NPD2977 Approved
0.7006 Intermediate Similarity NPD2978 Approved
0.7 Intermediate Similarity NPD3750 Approved
0.6993 Remote Similarity NPD7095 Approved
0.6992 Remote Similarity NPD2934 Approved
0.6992 Remote Similarity NPD1398 Phase 1
0.6992 Remote Similarity NPD2933 Approved
0.6987 Remote Similarity NPD5090 Approved
0.6987 Remote Similarity NPD5089 Approved
0.6981 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6981 Remote Similarity NPD7075 Discontinued
0.698 Remote Similarity NPD970 Clinical (unspecified phase)
0.698 Remote Similarity NPD1549 Phase 2
0.6978 Remote Similarity NPD1608 Approved
0.6974 Remote Similarity NPD1774 Approved
0.6974 Remote Similarity NPD6799 Approved
0.6972 Remote Similarity NPD9494 Approved
0.6963 Remote Similarity NPD7340 Approved
0.6959 Remote Similarity NPD6032 Approved
0.6959 Remote Similarity NPD1551 Phase 2
0.695 Remote Similarity NPD2797 Approved
0.6947 Remote Similarity NPD5451 Approved
0.6944 Remote Similarity NPD6798 Discontinued
0.6929 Remote Similarity NPD291 Approved
0.6928 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6355 Discontinued
0.6918 Remote Similarity NPD6788 Approved
0.6918 Remote Similarity NPD5124 Phase 1
0.6918 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6913 Remote Similarity NPD1375 Discontinued
0.6899 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6892 Remote Similarity NPD7033 Discontinued
0.6892 Remote Similarity NPD5588 Approved
0.6892 Remote Similarity NPD5960 Phase 3
0.6892 Remote Similarity NPD6029 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   22753775
ChEMBL   CHEMBL228128
ZINC  

Physicochemical Properties

Molecular Weight:  274.12
ALogP:  -0.8994
MLogP:  2.78
XLogP:  2.873
# Rotatable Bonds:  9
Polar Surface Area:  58.92
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  20

Download Data

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Biological Activities  
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