Natural Product: NPC216836

Natural Product ID:  NPC216836
Common Name:   Cyperin
IUPAC Name:   2-(3-hydroxy-5-methylphenoxy)-5-methoxy-3-methylphenol
Synonyms:   Cyperin
Molecular Formula:   C15H16O4
Standard InCHIKey:  KXXZLMLLYMPYJE-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H16O4/c1-9-4-11(16)7-13(5-9)19-15-10(2)6-12(18-3)8-14(15)17/h4-8,16-17H,1-3H3
Canonical SMILES:  COc1cc(C)c(c(c1)O)Oc1cc(C)cc(c1)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
NPO33180 preussia fleischhakii Species Sporormiaceae Eukaryota PMID[21401198]
NPO32810 preussia typharum Species Sporormiaceae Eukaryota PMID[23046341]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT140 Organism Artemia Artemia LC50 = 125 ug/ml 23823011
NPT3096 Organism Ascobolus Ascobolus IC50 = 100 ug/ml 23823011
NPT3096 Organism Ascobolus Ascobolus MIC = 250 ug/ml 23316950
NPT3095 Organism Sordaria fimicola Sordaria fimicola MIC = 75 ug/ml 23316950
NPT3095 Organism Sordaria fimicola Sordaria fimicola IC50 = 50 ug/ml 23316950

  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 NPC216836 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
0.9836 High Similarity NPC45824
0.9756 High Similarity NPC214860
0.9524 High Similarity NPC37196
0.9524 High Similarity NPC94236
0.9444 High Similarity NPC161203
0.9435 High Similarity NPC266691
0.9375 High Similarity NPC201357
0.9375 High Similarity NPC134968
0.9375 High Similarity NPC255147
0.9375 High Similarity NPC472337
0.9375 High Similarity NPC281521
0.936 High Similarity NPC10225
0.936 High Similarity NPC58164
0.9344 High Similarity NPC95168
0.9302 High Similarity NPC472334
0.9302 High Similarity NPC472336
0.9291 High Similarity NPC127624
0.9286 High Similarity NPC220935
0.9286 High Similarity NPC234488
0.9286 High Similarity NPC229231
0.9286 High Similarity NPC299221
0.9286 High Similarity NPC311680
0.9286 High Similarity NPC51840
0.928 High Similarity NPC63179
0.9268 High Similarity NPC183446
0.9231 High Similarity NPC107551
0.9231 High Similarity NPC102904
0.9231 High Similarity NPC176051
0.9231 High Similarity NPC474282
0.9231 High Similarity NPC326797
0.9231 High Similarity NPC276490
0.9231 High Similarity NPC103976
0.9219 High Similarity NPC229442
0.9219 High Similarity NPC168059
0.9219 High Similarity NPC269528
0.9213 High Similarity NPC82503
0.92 High Similarity NPC50368
0.92 High Similarity NPC210355
0.9194 High Similarity NPC299584
0.9194 High Similarity NPC82483
0.9194 High Similarity NPC265483
0.9187 High Similarity NPC121115
0.918 High Similarity NPC75713
0.918 High Similarity NPC145780
0.916 High Similarity NPC319647
0.916 High Similarity NPC127218
0.916 High Similarity NPC25966
0.916 High Similarity NPC245207
0.9147 High Similarity NPC310854
0.9147 High Similarity NPC106215
0.9141 High Similarity NPC86655
0.9141 High Similarity NPC6451
0.9141 High Similarity NPC202762
0.9127 High Similarity NPC19694
0.912 High Similarity NPC28730
0.912 High Similarity NPC18924
0.912 High Similarity NPC78974
0.912 High Similarity NPC214406
0.912 High Similarity NPC476006
0.912 High Similarity NPC44748
0.912 High Similarity NPC103823
0.912 High Similarity NPC112596
0.912 High Similarity NPC223136
0.9106 High Similarity NPC246967
0.9106 High Similarity NPC135414
0.9091 High Similarity NPC254759
0.9091 High Similarity NPC259519
0.9091 High Similarity NPC160283
0.9077 High Similarity NPC234333
0.9077 High Similarity NPC195022
0.9077 High Similarity NPC47398
0.9077 High Similarity NPC470356
0.9077 High Similarity NPC474206
0.9077 High Similarity NPC112939
0.9077 High Similarity NPC94750
0.9077 High Similarity NPC112246
0.9077 High Similarity NPC260898
0.9077 High Similarity NPC121812
0.907 High Similarity NPC36661
0.907 High Similarity NPC475840
0.9062 High Similarity NPC45715
0.9062 High Similarity NPC12275
0.9062 High Similarity NPC232275
0.9062 High Similarity NPC474356
0.9062 High Similarity NPC472597
0.9048 High Similarity NPC169474
0.9048 High Similarity NPC293054
0.9048 High Similarity NPC246620
0.9048 High Similarity NPC282000
0.9048 High Similarity NPC250432
0.9048 High Similarity NPC124452
0.9048 High Similarity NPC5447
0.9048 High Similarity NPC236760
0.9048 High Similarity NPC324112
0.9048 High Similarity NPC236791
0.9048 High Similarity NPC82679
0.9048 High Similarity NPC159968
0.9048 High Similarity NPC74817
0.904 High Similarity NPC60885
0.904 High Similarity NPC234400
0.9023 High Similarity NPC311530
0.9023 High Similarity NPC471389
0.9023 High Similarity NPC247291
0.9015 High Similarity NPC292882
0.9015 High Similarity NPC19869
0.9008 High Similarity NPC227503
0.9008 High Similarity NPC265433
0.9008 High Similarity NPC173660
0.9008 High Similarity NPC16435
0.9008 High Similarity NPC162659
0.9008 High Similarity NPC270456
0.9008 High Similarity NPC476698
0.9008 High Similarity NPC248727
0.9008 High Similarity NPC306441
0.9008 High Similarity NPC230734
0.9008 High Similarity NPC474639
0.9 High Similarity NPC317380
0.8992 High Similarity NPC16208
0.8992 High Similarity NPC7903
0.8992 High Similarity NPC184447
0.8992 High Similarity NPC35932
0.8992 High Similarity NPC160991
0.8984 High Similarity NPC192687
0.8984 High Similarity NPC91291
0.8984 High Similarity NPC224157
0.8984 High Similarity NPC472338
0.8976 High Similarity NPC46274
0.8976 High Similarity NPC154866
0.8976 High Similarity NPC226331
0.8976 High Similarity NPC28765
0.8968 High Similarity NPC245060
0.8968 High Similarity NPC181361
0.896 High Similarity NPC228972
0.896 High Similarity NPC122792
0.8955 High Similarity NPC472332
0.8955 High Similarity NPC472335
0.8955 High Similarity NPC107161
0.8952 High Similarity NPC473411
0.8952 High Similarity NPC474864
0.8952 High Similarity NPC71579
0.8952 High Similarity NPC262253
0.8939 High Similarity NPC211549
0.8931 High Similarity NPC61946
0.8931 High Similarity NPC261873
0.8931 High Similarity NPC151224
0.8931 High Similarity NPC283009
0.8923 High Similarity NPC11060
0.8923 High Similarity NPC474810
0.8915 High Similarity NPC220825
0.8915 High Similarity NPC268266
0.8915 High Similarity NPC268342
0.8915 High Similarity NPC309787
0.8915 High Similarity NPC42760
0.8915 High Similarity NPC147317
0.8906 High Similarity NPC218856
0.8906 High Similarity NPC190144
0.8906 High Similarity NPC470258
0.8906 High Similarity NPC202582
0.8906 High Similarity NPC210623
0.8906 High Similarity NPC222004
0.8906 High Similarity NPC190629
0.8906 High Similarity NPC273295
0.8906 High Similarity NPC3439
0.8906 High Similarity NPC285339
0.8906 High Similarity NPC226788
0.8898 High Similarity NPC252131
0.8898 High Similarity NPC470699
0.8898 High Similarity NPC266555
0.8889 High Similarity NPC208950
0.8889 High Similarity NPC105925
0.8889 High Similarity NPC472093
0.8889 High Similarity NPC477616
0.8889 High Similarity NPC221077
0.8889 High Similarity NPC298757
0.8889 High Similarity NPC102044
0.8889 High Similarity NPC203133
0.8889 High Similarity NPC251855
0.8889 High Similarity NPC117214
0.8889 High Similarity NPC193544
0.8889 High Similarity NPC233410
0.8889 High Similarity NPC85264
0.8889 High Similarity NPC57490
0.8889 High Similarity NPC475169
0.8889 High Similarity NPC17943
0.8889 High Similarity NPC116907
0.8889 High Similarity NPC47633
0.888 High Similarity NPC228922
0.888 High Similarity NPC197757
0.8872 High Similarity NPC471388
0.8872 High Similarity NPC70682
0.8872 High Similarity NPC260741
0.8871 High Similarity NPC285289
0.8864 High Similarity NPC269091
0.8864 High Similarity NPC302701
0.8864 High Similarity NPC470802
0.8862 High Similarity NPC61516
0.8862 High Similarity NPC247364
0.8862 High Similarity NPC10932
0.8862 High Similarity NPC232084
0.8855 High Similarity NPC170694

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC216836 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
0.9048 High Similarity NPD1530 Clinical (unspecified phase)
0.8976 High Similarity NPD1529 Clinical (unspecified phase)
0.8846 High Similarity NPD1613 Approved
0.8846 High Similarity NPD1612 Clinical (unspecified phase)
0.876 High Similarity NPD3027 Phase 3
0.8219 Intermediate Similarity NPD2801 Approved
0.8182 Intermediate Similarity NPD3018 Phase 2
0.8125 Intermediate Similarity NPD1653 Approved
0.811 Intermediate Similarity NPD1548 Phase 1
0.8015 Intermediate Similarity NPD2982 Phase 2
0.8015 Intermediate Similarity NPD4749 Approved
0.8015 Intermediate Similarity NPD2983 Phase 2
0.8 Intermediate Similarity NPD1610 Phase 2
0.7985 Intermediate Similarity NPD4908 Phase 1
0.7984 Intermediate Similarity NPD228 Approved
0.7939 Intermediate Similarity NPD2981 Phase 2
0.7926 Intermediate Similarity NPD4625 Phase 3
0.7905 Intermediate Similarity NPD1934 Approved
0.7874 Intermediate Similarity NPD6671 Approved
0.7869 Intermediate Similarity NPD968 Approved
0.7868 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD1091 Approved
0.7847 Intermediate Similarity NPD1511 Approved
0.7778 Intermediate Similarity NPD2861 Phase 2
0.7754 Intermediate Similarity NPD1558 Phase 1
0.7748 Intermediate Similarity NPD3882 Suspended
0.7744 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.774 Intermediate Similarity NPD1512 Approved
0.7737 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD290 Approved
0.7632 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD422 Phase 1
0.7578 Intermediate Similarity NPD5283 Phase 1
0.7552 Intermediate Similarity NPD3540 Phase 1
0.7533 Intermediate Similarity NPD4678 Approved
0.7533 Intermediate Similarity NPD4675 Approved
0.7516 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6166 Phase 2
0.7516 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD3539 Phase 1
0.7482 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD3817 Phase 2
0.7445 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD6696 Suspended
0.7419 Intermediate Similarity NPD6234 Discontinued
0.7388 Intermediate Similarity NPD3496 Discontinued
0.7386 Intermediate Similarity NPD1465 Phase 2
0.7376 Intermediate Similarity NPD4060 Phase 1
0.7375 Intermediate Similarity NPD7054 Approved
0.7361 Intermediate Similarity NPD6099 Approved
0.7361 Intermediate Similarity NPD6100 Approved
0.7333 Intermediate Similarity NPD3705 Approved
0.7329 Intermediate Similarity NPD7472 Approved
0.7329 Intermediate Similarity NPD7074 Phase 3
0.7324 Intermediate Similarity NPD447 Suspended
0.7324 Intermediate Similarity NPD230 Phase 1
0.7317 Intermediate Similarity NPD1242 Phase 1
0.7312 Intermediate Similarity NPD3818 Discontinued
0.7301 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD5844 Phase 1
0.7266 Intermediate Similarity NPD4750 Phase 3
0.7266 Intermediate Similarity NPD3022 Approved
0.7266 Intermediate Similarity NPD3021 Approved
0.7258 Intermediate Similarity NPD291 Approved
0.7248 Intermediate Similarity NPD4357 Discontinued
0.7241 Intermediate Similarity NPD1551 Phase 2
0.723 Intermediate Similarity NPD2219 Phase 1
0.723 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD5402 Approved
0.7218 Intermediate Similarity NPD5536 Phase 2
0.7215 Intermediate Similarity NPD7199 Phase 2
0.7211 Intermediate Similarity NPD6674 Discontinued
0.7211 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD1652 Phase 2
0.7208 Intermediate Similarity NPD37 Approved
0.72 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD4123 Phase 3
0.719 Intermediate Similarity NPD9296 Approved
0.7188 Intermediate Similarity NPD2684 Approved
0.7185 Intermediate Similarity NPD1778 Approved
0.7179 Intermediate Similarity NPD4967 Phase 2
0.7179 Intermediate Similarity NPD4965 Approved
0.7179 Intermediate Similarity NPD4966 Approved
0.7178 Intermediate Similarity NPD6797 Phase 2
0.7176 Intermediate Similarity NPD1398 Phase 1
0.7174 Intermediate Similarity NPD2922 Phase 1
0.7162 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD3892 Phase 2
0.7152 Intermediate Similarity NPD5494 Approved
0.7134 Intermediate Similarity NPD7251 Discontinued
0.7133 Intermediate Similarity NPD3620 Phase 2
0.7133 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1774 Approved
0.7125 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD940 Approved
0.712 Intermediate Similarity NPD846 Approved
0.7115 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD2677 Approved
0.7111 Intermediate Similarity NPD1357 Approved
0.7101 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7099 Intermediate Similarity NPD7843 Approved
0.7099 Intermediate Similarity NPD7228 Approved
0.7095 Intermediate Similarity NPD5177 Phase 3
0.7091 Intermediate Similarity NPD7808 Phase 3
0.7091 Intermediate Similarity NPD7549 Discontinued
0.7086 Intermediate Similarity NPD7447 Phase 1
0.708 Intermediate Similarity NPD1611 Approved
0.7075 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD7266 Discontinued
0.7073 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD7157 Approved
0.7063 Intermediate Similarity NPD6233 Phase 2
0.7063 Intermediate Similarity NPD6232 Discontinued
0.705 Intermediate Similarity NPD3225 Approved
0.705 Intermediate Similarity NPD8651 Approved
0.7029 Intermediate Similarity NPD1608 Approved
0.7027 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD1549 Phase 2
0.7025 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7213 Phase 3
0.702 Intermediate Similarity NPD7212 Phase 2
0.702 Intermediate Similarity NPD6799 Approved
0.7015 Intermediate Similarity NPD7340 Approved
0.7014 Intermediate Similarity NPD1240 Approved
0.7013 Intermediate Similarity NPD4005 Discontinued
0.7007 Intermediate Similarity NPD2935 Discontinued
0.7006 Intermediate Similarity NPD8054 Approved
0.7006 Intermediate Similarity NPD8053 Approved
0.7 Intermediate Similarity NPD6190 Approved
0.6986 Remote Similarity NPD4538 Approved
0.6986 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6986 Remote Similarity NPD4536 Approved
0.698 Remote Similarity NPD3060 Approved
0.6974 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6972 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6968 Remote Similarity NPD4380 Phase 2
0.6963 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5763 Approved
0.6959 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5762 Approved
0.6959 Remote Similarity NPD1375 Discontinued
0.6957 Remote Similarity NPD1535 Discovery
0.6954 Remote Similarity NPD7124 Phase 2
0.695 Remote Similarity NPD6584 Phase 3
0.6944 Remote Similarity NPD2674 Phase 3
0.6939 Remote Similarity NPD1510 Phase 2
0.6933 Remote Similarity NPD3750 Approved
0.6933 Remote Similarity NPD7473 Discontinued
0.6923 Remote Similarity NPD7095 Approved
0.6918 Remote Similarity NPD7075 Discontinued
0.6918 Remote Similarity NPD1607 Approved
0.6918 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6908 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6906 Remote Similarity NPD2235 Phase 2
0.6906 Remote Similarity NPD2231 Phase 2
0.6906 Remote Similarity NPD1481 Phase 2
0.6905 Remote Similarity NPD289 Clinical (unspecified phase)
0.6901 Remote Similarity NPD9494 Approved
0.6897 Remote Similarity NPD943 Approved
0.6894 Remote Similarity NPD1247 Approved
0.6892 Remote Similarity NPD6032 Approved
0.6883 Remote Similarity NPD5403 Approved
0.6879 Remote Similarity NPD2797 Approved
0.6879 Remote Similarity NPD1203 Approved
0.6875 Remote Similarity NPD3145 Approved
0.6875 Remote Similarity NPD3144 Approved
0.6875 Remote Similarity NPD6798 Discontinued
0.6871 Remote Similarity NPD6111 Discontinued
0.6867 Remote Similarity NPD4237 Approved
0.6867 Remote Similarity NPD4236 Phase 3
0.6867 Remote Similarity NPD4162 Approved
0.6861 Remote Similarity NPD5585 Approved
0.6853 Remote Similarity NPD600 Approved
0.6853 Remote Similarity NPD596 Approved
0.6852 Remote Similarity NPD3787 Discontinued
0.6849 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6849 Remote Similarity NPD1933 Approved
0.6849 Remote Similarity NPD6355 Discontinued
0.6849 Remote Similarity NPD5124 Phase 1
0.6835 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6832 Remote Similarity NPD5677 Discontinued
0.6828 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6828 Remote Similarity NPD840 Approved
0.6828 Remote Similarity NPD839 Approved
0.6824 Remote Similarity NPD5960 Phase 3
0.6824 Remote Similarity NPD5588 Approved
0.6824 Remote Similarity NPD7033 Discontinued
0.6824 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6818 Remote Similarity NPD5261 Clinical (unspecified phase)
0.6815 Remote Similarity NPD709 Approved
0.6813 Remote Similarity NPD4055 Discovery
0.6812 Remote Similarity NPD17 Approved
0.6812 Remote Similarity NPD6516 Phase 2
0.6812 Remote Similarity NPD5846 Approved
0.6803 Remote Similarity NPD6653 Approved

Structure

External Identifiers

PubChem CID   182142
ChEMBL   CHEMBL487020
ZINC  

Physicochemical Properties

Molecular Weight:  260.10
ALogP:  0.1575
MLogP:  2.67
XLogP:  2.749
# Rotatable Bonds:  8
Polar Surface Area:  58.92
# H-Bond Aceptor:  0
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  19

Download Data

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Structure MOL file  
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Biological Activities  
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