Natural Product: NPC49341

Natural Product ID:  NPC49341
Common Name:   4-(3-Hydroxypropyl)-2,6-Dimethoxyphenol
IUPAC Name:   4-(3-hydroxypropyl)-2,6-dimethoxyphenol
Synonyms:  
Molecular Formula:   C11H16O4
Standard InCHIKey:  PHOPGVYKZWPIGA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
Canonical SMILES:  OCCCc1cc(OC)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
NPO18105 Fructus ligustri lucidi NA NA NA TCMSP*
NPO17782 Inula britannica Species Asteraceae Eukaryota TM-MC*
NPO9124 Inula japonica Species Asteraceae Eukaryota TM-MC*
NPO18655 Clerodendranthus spicatus Species Lamiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1464 Individual Protein Phosphodiesterase 4D Homo sapiens IC50 > 20000 nM 26978121

  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 NPC49341 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
0.9828 High Similarity NPC220598
0.9828 High Similarity NPC165375
0.9652 High Similarity NPC229401
0.9649 High Similarity NPC63083
0.9565 High Similarity NPC20674
0.9474 High Similarity NPC193067
0.9421 High Similarity NPC206615
0.9421 High Similarity NPC470213
0.9421 High Similarity NPC98631
0.9421 High Similarity NPC186843
0.9391 High Similarity NPC259638
0.9344 High Similarity NPC170844
0.9344 High Similarity NPC476968
0.9333 High Similarity NPC203133
0.9333 High Similarity NPC221077
0.9333 High Similarity NPC193544
0.9333 High Similarity NPC116907
0.9333 High Similarity NPC17943
0.9333 High Similarity NPC298757
0.9333 High Similarity NPC251855
0.9333 High Similarity NPC233410
0.9333 High Similarity NPC472093
0.9333 High Similarity NPC117214
0.9333 High Similarity NPC208950
0.9333 High Similarity NPC475169
0.9333 High Similarity NPC57490
0.9328 High Similarity NPC197757
0.9328 High Similarity NPC228922
0.9322 High Similarity NPC470804
0.9316 High Similarity NPC148615
0.9316 High Similarity NPC35071
0.9316 High Similarity NPC177475
0.931 High Similarity NPC255675
0.9304 High Similarity NPC221049
0.9268 High Similarity NPC472338
0.9256 High Similarity NPC103823
0.9256 High Similarity NPC214406
0.9256 High Similarity NPC44748
0.9256 High Similarity NPC76451
0.9256 High Similarity NPC18924
0.9256 High Similarity NPC78974
0.9256 High Similarity NPC223136
0.9256 High Similarity NPC28730
0.925 High Similarity NPC183446
0.9244 High Similarity NPC262253
0.9244 High Similarity NPC41562
0.9244 High Similarity NPC473411
0.9244 High Similarity NPC71579
0.9231 High Similarity NPC320987
0.9231 High Similarity NPC135961
0.9231 High Similarity NPC181969
0.9194 High Similarity NPC470096
0.9194 High Similarity NPC472597
0.9194 High Similarity NPC470095
0.9194 High Similarity NPC474017
0.9187 High Similarity NPC212015
0.918 High Similarity NPC124452
0.918 High Similarity NPC82679
0.918 High Similarity NPC210355
0.918 High Similarity NPC127587
0.918 High Similarity NPC236791
0.918 High Similarity NPC324112
0.918 High Similarity NPC169474
0.918 High Similarity NPC293054
0.918 High Similarity NPC246620
0.918 High Similarity NPC74817
0.918 High Similarity NPC159968
0.918 High Similarity NPC282000
0.9174 High Similarity NPC234400
0.9174 High Similarity NPC60885
0.9174 High Similarity NPC299584
0.9174 High Similarity NPC82483
0.9174 High Similarity NPC265483
0.9167 High Similarity NPC282496
0.9167 High Similarity NPC136319
0.9167 High Similarity NPC233526
0.916 High Similarity NPC476343
0.9153 High Similarity NPC61516
0.9153 High Similarity NPC10932
0.9153 High Similarity NPC247364
0.9153 High Similarity NPC232084
0.912 High Similarity NPC35932
0.912 High Similarity NPC7903
0.912 High Similarity NPC16208
0.912 High Similarity NPC160991
0.912 High Similarity NPC253105
0.912 High Similarity NPC201587
0.912 High Similarity NPC184447
0.9106 High Similarity NPC154866
0.9106 High Similarity NPC28765
0.9091 High Similarity NPC206487
0.9091 High Similarity NPC5796
0.9083 High Similarity NPC270326
0.9083 High Similarity NPC209567
0.9076 High Similarity NPC166759
0.9076 High Similarity NPC199023
0.9068 High Similarity NPC24474
0.9068 High Similarity NPC311595
0.9068 High Similarity NPC226629
0.9048 High Similarity NPC475840
0.9043 High Similarity NPC204120
0.904 High Similarity NPC309787
0.9032 High Similarity NPC226788
0.9032 High Similarity NPC285339
0.9032 High Similarity NPC470258
0.9032 High Similarity NPC10225
0.9032 High Similarity NPC48315
0.9032 High Similarity NPC218856
0.9032 High Similarity NPC210623
0.9032 High Similarity NPC190629
0.9032 High Similarity NPC58164
0.9032 High Similarity NPC273295
0.9032 High Similarity NPC202582
0.9032 High Similarity NPC3439
0.9032 High Similarity NPC222004
0.9024 High Similarity NPC266555
0.9024 High Similarity NPC252131
0.9024 High Similarity NPC474119
0.9016 High Similarity NPC271985
0.9016 High Similarity NPC105925
0.9008 High Similarity NPC84086
0.9008 High Similarity NPC121115
0.9008 High Similarity NPC95168
0.9008 High Similarity NPC471693
0.9008 High Similarity NPC238810
0.9 High Similarity NPC145780
0.9 High Similarity NPC285289
0.8992 High Similarity NPC474565
0.8976 High Similarity NPC107478
0.8976 High Similarity NPC326095
0.8976 High Similarity NPC310854
0.8976 High Similarity NPC244983
0.8976 High Similarity NPC287745
0.8976 High Similarity NPC170694
0.8968 High Similarity NPC470270
0.8968 High Similarity NPC470752
0.8968 High Similarity NPC204215
0.8968 High Similarity NPC175067
0.896 High Similarity NPC126836
0.896 High Similarity NPC469614
0.896 High Similarity NPC299221
0.896 High Similarity NPC469612
0.896 High Similarity NPC234488
0.896 High Similarity NPC311680
0.896 High Similarity NPC51840
0.8952 High Similarity NPC109275
0.8943 High Similarity NPC223953
0.8943 High Similarity NPC112596
0.8943 High Similarity NPC473960
0.8943 High Similarity NPC181361
0.8934 High Similarity NPC228972
0.8934 High Similarity NPC122792
0.8926 High Similarity NPC135414
0.8926 High Similarity NPC246967
0.8906 High Similarity NPC256262
0.8906 High Similarity NPC47398
0.8906 High Similarity NPC234333
0.8906 High Similarity NPC260898
0.8906 High Similarity NPC472337
0.8898 High Similarity NPC229442
0.8898 High Similarity NPC164386
0.8898 High Similarity NPC168059
0.8898 High Similarity NPC158331
0.8889 High Similarity NPC30043
0.8889 High Similarity NPC469625
0.8889 High Similarity NPC469613
0.888 High Similarity NPC45824
0.888 High Similarity NPC469951
0.888 High Similarity NPC158477
0.888 High Similarity NPC469963
0.8871 High Similarity NPC165045
0.8871 High Similarity NPC183181
0.8871 High Similarity NPC111247
0.8871 High Similarity NPC118533
0.8871 High Similarity NPC5428
0.8871 High Similarity NPC236760
0.8871 High Similarity NPC163332
0.8871 High Similarity NPC118787
0.8871 High Similarity NPC470699
0.8871 High Similarity NPC319625
0.8871 High Similarity NPC41706
0.8871 High Similarity NPC147821
0.8871 High Similarity NPC292056
0.8871 High Similarity NPC242032
0.887 High Similarity NPC203924
0.887 High Similarity NPC156840
0.887 High Similarity NPC257124
0.887 High Similarity NPC78918
0.887 High Similarity NPC173746
0.887 High Similarity NPC8547
0.887 High Similarity NPC139617
0.8862 High Similarity NPC148627
0.8862 High Similarity NPC194519
0.8862 High Similarity NPC300326
0.8862 High Similarity NPC58279
0.886 High Similarity NPC165386
0.8843 High Similarity NPC262156
0.8843 High Similarity NPC470212
0.8843 High Similarity NPC324571
0.8843 High Similarity NPC54872

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC49341 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
0.9344 High Similarity NPD3027 Phase 3
0.887 High Similarity NPD228 Approved
0.8672 High Similarity NPD1613 Approved
0.8672 High Similarity NPD1612 Clinical (unspecified phase)
0.8571 High Similarity NPD1530 Clinical (unspecified phase)
0.8504 High Similarity NPD1529 Clinical (unspecified phase)
0.8254 Intermediate Similarity NPD2982 Phase 2
0.8254 Intermediate Similarity NPD2983 Phase 2
0.8175 Intermediate Similarity NPD2981 Phase 2
0.814 Intermediate Similarity NPD3018 Phase 2
0.8 Intermediate Similarity NPD1357 Approved
0.7969 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD3705 Approved
0.7951 Intermediate Similarity NPD5283 Phase 1
0.792 Intermediate Similarity NPD1548 Phase 1
0.7836 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7836 Intermediate Similarity NPD3620 Phase 2
0.7833 Intermediate Similarity NPD2684 Approved
0.7832 Intermediate Similarity NPD1653 Approved
0.7812 Intermediate Similarity NPD1610 Phase 2
0.7803 Intermediate Similarity NPD4908 Phase 1
0.7786 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD230 Phase 1
0.7724 Intermediate Similarity NPD7843 Approved
0.7704 Intermediate Similarity NPD1558 Phase 1
0.7692 Intermediate Similarity NPD4749 Approved
0.7687 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.768 Intermediate Similarity NPD7157 Approved
0.766 Intermediate Similarity NPD2219 Phase 1
0.763 Intermediate Similarity NPD2674 Phase 3
0.7627 Intermediate Similarity NPD846 Approved
0.7627 Intermediate Similarity NPD940 Approved
0.7623 Intermediate Similarity NPD3021 Approved
0.7623 Intermediate Similarity NPD3022 Approved
0.7619 Intermediate Similarity NPD1934 Approved
0.7603 Intermediate Similarity NPD290 Approved
0.7594 Intermediate Similarity NPD9494 Approved
0.7584 Intermediate Similarity NPD3882 Suspended
0.7568 Intermediate Similarity NPD2801 Approved
0.7565 Intermediate Similarity NPD9296 Approved
0.7542 Intermediate Similarity NPD1242 Phase 1
0.7538 Intermediate Similarity NPD1091 Approved
0.7538 Intermediate Similarity NPD422 Phase 1
0.7536 Intermediate Similarity NPD6111 Discontinued
0.7534 Intermediate Similarity NPD4005 Discontinued
0.7518 Intermediate Similarity NPD3060 Approved
0.75 Intermediate Similarity NPD37 Approved
0.75 Intermediate Similarity NPD3540 Phase 1
0.7483 Intermediate Similarity NPD6234 Discontinued
0.7479 Intermediate Similarity NPD291 Approved
0.745 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD4357 Discontinued
0.7431 Intermediate Similarity NPD1511 Approved
0.7429 Intermediate Similarity NPD3539 Phase 1
0.7426 Intermediate Similarity NPD3144 Approved
0.7426 Intermediate Similarity NPD3145 Approved
0.7422 Intermediate Similarity NPD5536 Phase 2
0.7413 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD4236 Phase 3
0.7394 Intermediate Similarity NPD4237 Approved
0.7376 Intermediate Similarity NPD7266 Discontinued
0.7365 Intermediate Similarity NPD4678 Approved
0.7365 Intermediate Similarity NPD4675 Approved
0.7355 Intermediate Similarity NPD6166 Phase 2
0.7355 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD4625 Phase 3
0.7351 Intermediate Similarity NPD4965 Approved
0.7351 Intermediate Similarity NPD4966 Approved
0.7351 Intermediate Similarity NPD4967 Phase 2
0.7351 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7339 Intermediate Similarity NPD4750 Phase 3
0.7329 Intermediate Similarity NPD1512 Approved
0.7299 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1652 Phase 2
0.7261 Intermediate Similarity NPD7228 Approved
0.7254 Intermediate Similarity NPD1375 Discontinued
0.7252 Intermediate Similarity NPD9381 Approved
0.7252 Intermediate Similarity NPD9384 Approved
0.7246 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD7124 Phase 2
0.7239 Intermediate Similarity NPD8651 Approved
0.7215 Intermediate Similarity NPD7054 Approved
0.7206 Intermediate Similarity NPD2861 Phase 2
0.7203 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD4060 Phase 1
0.719 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7177 Intermediate Similarity NPD1358 Approved
0.7171 Intermediate Similarity NPD3817 Phase 2
0.7171 Intermediate Similarity NPD6374 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD7472 Approved
0.717 Intermediate Similarity NPD7074 Phase 3
0.7165 Intermediate Similarity NPD821 Approved
0.7164 Intermediate Similarity NPD9622 Approved
0.7164 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7199 Phase 2
0.7153 Intermediate Similarity NPD6674 Discontinued
0.7152 Intermediate Similarity NPD3818 Discontinued
0.7143 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD6671 Approved
0.7114 Intermediate Similarity NPD3687 Approved
0.7114 Intermediate Similarity NPD3686 Approved
0.7113 Intermediate Similarity NPD1510 Phase 2
0.7105 Intermediate Similarity NPD2977 Approved
0.7105 Intermediate Similarity NPD2978 Approved
0.7097 Intermediate Similarity NPD968 Approved
0.709 Intermediate Similarity NPD9269 Phase 2
0.7086 Intermediate Similarity NPD5089 Approved
0.7086 Intermediate Similarity NPD5090 Approved
0.7075 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7071 Intermediate Similarity NPD2238 Phase 2
0.7071 Intermediate Similarity NPD1240 Approved
0.7067 Intermediate Similarity NPD6055 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD6190 Approved
0.7047 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7043 Intermediate Similarity NPD9094 Approved
0.7042 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD4536 Approved
0.7042 Intermediate Similarity NPD4538 Approved
0.7034 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD4162 Approved
0.7034 Intermediate Similarity NPD5177 Phase 3
0.7031 Intermediate Similarity NPD9379 Approved
0.7031 Intermediate Similarity NPD9377 Approved
0.7029 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4123 Phase 3
0.7021 Intermediate Similarity NPD5124 Phase 1
0.7021 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD4380 Phase 2
0.7019 Intermediate Similarity NPD6797 Phase 2
0.7007 Intermediate Similarity NPD9621 Approved
0.7007 Intermediate Similarity NPD9620 Approved
0.7007 Intermediate Similarity NPD9619 Approved
0.7007 Intermediate Similarity NPD6584 Phase 3
0.7006 Intermediate Similarity NPD6232 Discontinued
0.6993 Remote Similarity NPD1465 Phase 2
0.6992 Remote Similarity NPD1778 Approved
0.6992 Remote Similarity NPD6516 Phase 2
0.6992 Remote Similarity NPD4626 Approved
0.6992 Remote Similarity NPD5846 Approved
0.698 Remote Similarity NPD1350 Approved
0.698 Remote Similarity NPD1349 Approved
0.698 Remote Similarity NPD1351 Approved
0.6978 Remote Similarity NPD3180 Approved
0.6978 Remote Similarity NPD3179 Approved
0.6975 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6975 Remote Similarity NPD7251 Discontinued
0.6975 Remote Similarity NPD2934 Approved
0.6975 Remote Similarity NPD2933 Approved
0.6972 Remote Similarity NPD6653 Approved
0.6972 Remote Similarity NPD1607 Approved
0.6962 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6959 Remote Similarity NPD5297 Approved
0.6959 Remote Similarity NPD1774 Approved
0.695 Remote Similarity NPD943 Approved
0.6944 Remote Similarity NPD6099 Approved
0.6944 Remote Similarity NPD6100 Approved
0.6944 Remote Similarity NPD2161 Phase 2
0.694 Remote Similarity NPD3496 Discontinued
0.6939 Remote Similarity NPD5241 Discontinued
0.6939 Remote Similarity NPD2677 Approved
0.6933 Remote Similarity NPD7808 Phase 3
0.6933 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6929 Remote Similarity NPD5109 Approved
0.6929 Remote Similarity NPD5110 Phase 2
0.6929 Remote Similarity NPD556 Approved
0.6929 Remote Similarity NPD598 Approved
0.6929 Remote Similarity NPD601 Approved
0.6929 Remote Similarity NPD5111 Phase 2
0.6929 Remote Similarity NPD597 Approved
0.6917 Remote Similarity NPD844 Approved
0.6917 Remote Similarity NPD2859 Approved
0.6917 Remote Similarity NPD2860 Approved
0.6914 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6913 Remote Similarity NPD3157 Approved
0.6913 Remote Similarity NPD7447 Phase 1
0.6913 Remote Similarity NPD1424 Approved
0.6913 Remote Similarity NPD3158 Phase 1
0.6906 Remote Similarity NPD600 Approved
0.6906 Remote Similarity NPD596 Approved
0.6901 Remote Similarity NPD3657 Discovery
0.6901 Remote Similarity NPD5735 Approved
0.6901 Remote Similarity NPD447 Suspended
0.6897 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6897 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6897 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6894 Remote Similarity NPD5844 Phase 1
0.6894 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6885 Remote Similarity NPD3020 Approved
0.6883 Remote Similarity NPD5772 Approved
0.6883 Remote Similarity NPD5773 Approved
0.6879 Remote Similarity NPD1136 Approved
0.6879 Remote Similarity NPD840 Approved
0.6879 Remote Similarity NPD839 Approved
0.6879 Remote Similarity NPD1132 Approved
0.6879 Remote Similarity NPD1130 Approved
0.6875 Remote Similarity NPD5960 Phase 3
0.6875 Remote Similarity NPD5588 Approved
0.6875 Remote Similarity NPD7473 Discontinued

Structure

External Identifiers

PubChem CID   529893
ChEMBL   CHEMBL3793371
ZINC  

Physicochemical Properties

Molecular Weight:  212.10
ALogP:  -1.2382
MLogP:  2.23
XLogP:  0.641
# Rotatable Bonds:  9
Polar Surface Area:  58.92
# H-Bond Aceptor:  1
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  15

Download Data

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