Natural Product: NPC255675

Natural Product ID:  NPC255675
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C10H14O4
Standard InCHIKey:  QGFJORGLNPWXMK-MRVPVSSYSA-N
Standard InCHI:  InChI=1S/C10H14O4/c1-14-10-5-7(2-3-9(10)13)4-8(12)6-11/h2-3,5,8,11-13H,4,6H2,1H3/t8-/m1/s1
Canonical SMILES:  OC[C@@H](Cc1ccc(c(c1)OC)O)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
NPO6648 Piper retrofractum Species Piperaceae Eukaryota Leaves PMID[25127165]
NPO2373 Popillia japonica Species Scarabaeidae Eukaryota UNPD*
NPO8843 Epipactis palustris Species Orchidaceae Eukaryota UNPD*
NPO15050 Rumex obtusifolius Species Polygonaceae Eukaryota UNPD*
NPO15339 Artemisia afra Species Asteraceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT35 Others n.a. Activity = 3.59 nM 25127165
NPT35 Others n.a. Activity = 28.2 nM 25127165
NPT2 Others Unspecified Activity = 9.01 nM 25127165
NPT2 Others Unspecified Activity = 43.82 nM 25127165
NPT2 Others Unspecified Activity = 25 % 25127165

  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 NPC255675 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
0.991 High Similarity NPC181969
0.991 High Similarity NPC320987
0.9821 High Similarity NPC148615
0.9821 High Similarity NPC177475
0.9821 High Similarity NPC35071
0.9818 High Similarity NPC221049
0.9649 High Similarity NPC470804
0.9565 High Similarity NPC209567
0.9558 High Similarity NPC135961
0.9483 High Similarity NPC471693
0.9478 High Similarity NPC476343
0.9386 High Similarity NPC311595
0.9386 High Similarity NPC24474
0.9381 High Similarity NPC164386
0.9364 High Similarity NPC78918
0.9364 High Similarity NPC173746
0.9364 High Similarity NPC156840
0.9364 High Similarity NPC139617
0.9364 High Similarity NPC8547
0.9364 High Similarity NPC257124
0.9322 High Similarity NPC194519
0.9322 High Similarity NPC148627
0.9316 High Similarity NPC220598
0.9316 High Similarity NPC165375
0.931 High Similarity NPC49341
0.9304 High Similarity NPC229401
0.9244 High Similarity NPC58607
0.9244 High Similarity NPC191037
0.9244 High Similarity NPC178284
0.9224 High Similarity NPC207613
0.9217 High Similarity NPC20674
0.9182 High Similarity NPC246358
0.9182 High Similarity NPC233731
0.9182 High Similarity NPC7097
0.9182 High Similarity NPC36108
0.9167 High Similarity NPC111247
0.9167 High Similarity NPC147821
0.9167 High Similarity NPC319625
0.9167 High Similarity NPC163332
0.9167 High Similarity NPC118533
0.9167 High Similarity NPC183181
0.9167 High Similarity NPC118787
0.9167 High Similarity NPC41706
0.9167 High Similarity NPC292056
0.9167 High Similarity NPC165045
0.9145 High Similarity NPC473853
0.9145 High Similarity NPC262156
0.9145 High Similarity NPC343720
0.9145 High Similarity NPC113865
0.9145 High Similarity NPC312675
0.9145 High Similarity NPC184651
0.9145 High Similarity NPC324571
0.9145 High Similarity NPC54872
0.9145 High Similarity NPC470212
0.9099 High Similarity NPC137685
0.9091 High Similarity NPC474178
0.9091 High Similarity NPC470213
0.9091 High Similarity NPC252307
0.9091 High Similarity NPC98631
0.9091 High Similarity NPC245826
0.9091 High Similarity NPC186843
0.9091 High Similarity NPC206615
0.9076 High Similarity NPC114901
0.9076 High Similarity NPC94276
0.9076 High Similarity NPC109822
0.9076 High Similarity NPC293701
0.9076 High Similarity NPC48990
0.9068 High Similarity NPC71090
0.9043 High Similarity NPC293619
0.9043 High Similarity NPC259638
0.9018 High Similarity NPC195873
0.9016 High Similarity NPC5851
0.9016 High Similarity NPC170844
0.9016 High Similarity NPC476968
0.9016 High Similarity NPC86030
0.9008 High Similarity NPC5428
0.9 High Similarity NPC227894
0.9 High Similarity NPC251306
0.8966 High Similarity NPC63083
0.8966 High Similarity NPC470626
0.8957 High Similarity NPC193067
0.8943 High Similarity NPC153739
0.8943 High Similarity NPC92164
0.8943 High Similarity NPC241522
0.8943 High Similarity NPC472338
0.8943 High Similarity NPC145305
0.8943 High Similarity NPC242807
0.8943 High Similarity NPC64201
0.8943 High Similarity NPC187998
0.8943 High Similarity NPC143483
0.8943 High Similarity NPC77040
0.8943 High Similarity NPC42300
0.8943 High Similarity NPC174495
0.8943 High Similarity NPC257582
0.8934 High Similarity NPC282703
0.8934 High Similarity NPC72529
0.8934 High Similarity NPC129570
0.8934 High Similarity NPC11258
0.8934 High Similarity NPC45774
0.8934 High Similarity NPC184733
0.8934 High Similarity NPC128208
0.8934 High Similarity NPC21867
0.8908 High Similarity NPC85488
0.8889 High Similarity NPC477803
0.8871 High Similarity NPC472597
0.8871 High Similarity NPC248307
0.8871 High Similarity NPC474017
0.8871 High Similarity NPC65942
0.8871 High Similarity NPC277804
0.8871 High Similarity NPC470095
0.8871 High Similarity NPC470096
0.8862 High Similarity NPC212015
0.8862 High Similarity NPC475875
0.8852 High Similarity NPC106511
0.8843 High Similarity NPC116907
0.8843 High Similarity NPC221077
0.8843 High Similarity NPC472093
0.8843 High Similarity NPC298757
0.8843 High Similarity NPC117214
0.8843 High Similarity NPC193544
0.8843 High Similarity NPC203133
0.8843 High Similarity NPC251855
0.8843 High Similarity NPC17943
0.8843 High Similarity NPC57490
0.8843 High Similarity NPC208950
0.8843 High Similarity NPC475169
0.8843 High Similarity NPC233410
0.8833 High Similarity NPC197757
0.8833 High Similarity NPC228922
0.8833 High Similarity NPC280704
0.8824 High Similarity NPC290451
0.8824 High Similarity NPC127389
0.8814 High Similarity NPC10932
0.8814 High Similarity NPC165133
0.8814 High Similarity NPC232084
0.8814 High Similarity NPC242885
0.8814 High Similarity NPC95614
0.8814 High Similarity NPC232316
0.8814 High Similarity NPC61516
0.8814 High Similarity NPC56214
0.8814 High Similarity NPC227217
0.8814 High Similarity NPC117780
0.8814 High Similarity NPC247364
0.8803 High Similarity NPC474214
0.88 High Similarity NPC253105
0.88 High Similarity NPC201587
0.88 High Similarity NPC16208
0.88 High Similarity NPC160991
0.88 High Similarity NPC7903
0.88 High Similarity NPC35932
0.88 High Similarity NPC184447
0.879 High Similarity NPC195292
0.879 High Similarity NPC142985
0.878 High Similarity NPC472968
0.878 High Similarity NPC470084
0.877 High Similarity NPC78974
0.877 High Similarity NPC214406
0.877 High Similarity NPC18924
0.877 High Similarity NPC28730
0.877 High Similarity NPC44748
0.877 High Similarity NPC103823
0.877 High Similarity NPC223136
0.876 High Similarity NPC5796
0.876 High Similarity NPC206487
0.876 High Similarity NPC183446
0.875 High Similarity NPC41562
0.875 High Similarity NPC262253
0.875 High Similarity NPC473411
0.875 High Similarity NPC71579
0.873 High Similarity NPC129889
0.873 High Similarity NPC307006
0.873 High Similarity NPC475840
0.8729 High Similarity NPC299406
0.8729 High Similarity NPC474320
0.8729 High Similarity NPC281298
0.8729 High Similarity NPC226629
0.8729 High Similarity NPC310338
0.8727 High Similarity NPC292792
0.8727 High Similarity NPC12278
0.872 High Similarity NPC7171
0.872 High Similarity NPC228346
0.872 High Similarity NPC158079
0.872 High Similarity NPC115207
0.872 High Similarity NPC40432
0.872 High Similarity NPC469480
0.872 High Similarity NPC161557
0.872 High Similarity NPC27843
0.8718 High Similarity NPC39793
0.871 High Similarity NPC470258
0.871 High Similarity NPC285339
0.871 High Similarity NPC273295
0.871 High Similarity NPC202582
0.871 High Similarity NPC222004
0.871 High Similarity NPC218856
0.871 High Similarity NPC3439
0.871 High Similarity NPC307110
0.871 High Similarity NPC226788
0.871 High Similarity NPC190629
0.871 High Similarity NPC210623
0.8699 High Similarity NPC293054

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC255675 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
0.9364 High Similarity NPD228 Approved
0.9016 High Similarity NPD3027 Phase 3
0.8504 High Similarity NPD1612 Clinical (unspecified phase)
0.8504 High Similarity NPD1613 Approved
0.8417 Intermediate Similarity NPD1357 Approved
0.8226 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.822 Intermediate Similarity NPD5283 Phase 1
0.8189 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.8103 Intermediate Similarity NPD2684 Approved
0.8077 Intermediate Similarity NPD3620 Phase 2
0.8077 Intermediate Similarity NPD1558 Phase 1
0.8077 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.8065 Intermediate Similarity NPD3705 Approved
0.8017 Intermediate Similarity NPD290 Approved
0.8 Intermediate Similarity NPD9296 Approved
0.7983 Intermediate Similarity NPD7843 Approved
0.7969 Intermediate Similarity NPD9494 Approved
0.7934 Intermediate Similarity NPD7157 Approved
0.7895 Intermediate Similarity NPD291 Approved
0.7881 Intermediate Similarity NPD3022 Approved
0.7881 Intermediate Similarity NPD3021 Approved
0.7868 Intermediate Similarity NPD3060 Approved
0.7863 Intermediate Similarity NPD2674 Phase 3
0.7795 Intermediate Similarity NPD2983 Phase 2
0.7795 Intermediate Similarity NPD2982 Phase 2
0.776 Intermediate Similarity NPD9381 Approved
0.776 Intermediate Similarity NPD9384 Approved
0.7737 Intermediate Similarity NPD4237 Approved
0.7737 Intermediate Similarity NPD4236 Phase 3
0.7717 Intermediate Similarity NPD2981 Phase 2
0.7692 Intermediate Similarity NPD3018 Phase 2
0.7661 Intermediate Similarity NPD5536 Phase 2
0.7656 Intermediate Similarity NPD9622 Approved
0.7652 Intermediate Similarity NPD3145 Approved
0.7652 Intermediate Similarity NPD3144 Approved
0.7638 Intermediate Similarity NPD1091 Approved
0.76 Intermediate Similarity NPD1548 Phase 1
0.7594 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD7266 Discontinued
0.7557 Intermediate Similarity NPD2861 Phase 2
0.7552 Intermediate Similarity NPD1653 Approved
0.7521 Intermediate Similarity NPD9280 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1610 Phase 2
0.7481 Intermediate Similarity NPD9619 Approved
0.7481 Intermediate Similarity NPD9620 Approved
0.7481 Intermediate Similarity NPD9621 Approved
0.7479 Intermediate Similarity NPD968 Approved
0.7466 Intermediate Similarity NPD1934 Approved
0.7464 Intermediate Similarity NPD1375 Discontinued
0.7462 Intermediate Similarity NPD8651 Approved
0.7431 Intermediate Similarity NPD3686 Approved
0.7431 Intermediate Similarity NPD3687 Approved
0.7417 Intermediate Similarity NPD1358 Approved
0.7415 Intermediate Similarity NPD2978 Approved
0.7415 Intermediate Similarity NPD2977 Approved
0.7407 Intermediate Similarity NPD4060 Phase 1
0.7398 Intermediate Similarity NPD9377 Approved
0.7398 Intermediate Similarity NPD821 Approved
0.7398 Intermediate Similarity NPD9379 Approved
0.7385 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4908 Phase 1
0.736 Intermediate Similarity NPD6671 Approved
0.7357 Intermediate Similarity NPD4162 Approved
0.7353 Intermediate Similarity NPD230 Phase 1
0.7313 Intermediate Similarity NPD3179 Approved
0.7313 Intermediate Similarity NPD3180 Approved
0.7295 Intermediate Similarity NPD556 Approved
0.7273 Intermediate Similarity NPD1774 Approved
0.7273 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD2161 Phase 2
0.7259 Intermediate Similarity NPD597 Approved
0.7259 Intermediate Similarity NPD598 Approved
0.7259 Intermediate Similarity NPD601 Approved
0.7259 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD9365 Approved
0.7254 Intermediate Similarity NPD2677 Approved
0.7254 Intermediate Similarity NPD5241 Discontinued
0.7246 Intermediate Similarity NPD4536 Approved
0.7246 Intermediate Similarity NPD4538 Approved
0.7246 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD6674 Discontinued
0.7234 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7231 Intermediate Similarity NPD422 Phase 1
0.7226 Intermediate Similarity NPD5735 Approved
0.7222 Intermediate Similarity NPD4123 Phase 3
0.7218 Intermediate Similarity NPD6584 Phase 3
0.7218 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7217 Intermediate Similarity NPD2933 Approved
0.7217 Intermediate Similarity NPD2934 Approved
0.7217 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7214 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD6516 Phase 2
0.7209 Intermediate Similarity NPD1778 Approved
0.7209 Intermediate Similarity NPD5846 Approved
0.7209 Intermediate Similarity NPD4626 Approved
0.7206 Intermediate Similarity NPD1136 Approved
0.7206 Intermediate Similarity NPD1130 Approved
0.7206 Intermediate Similarity NPD1132 Approved
0.7203 Intermediate Similarity NPD1242 Phase 1
0.72 Intermediate Similarity NPD3882 Suspended
0.7183 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD4110 Phase 3
0.7183 Intermediate Similarity NPD4628 Phase 3
0.7182 Intermediate Similarity NPD111 Approved
0.7181 Intermediate Similarity NPD2801 Approved
0.7181 Intermediate Similarity NPD5773 Approved
0.7181 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD5772 Approved
0.7176 Intermediate Similarity NPD2231 Phase 2
0.7176 Intermediate Similarity NPD2235 Phase 2
0.7174 Intermediate Similarity NPD6653 Approved
0.7155 Intermediate Similarity NPD2860 Approved
0.7155 Intermediate Similarity NPD844 Approved
0.7155 Intermediate Similarity NPD2859 Approved
0.7154 Intermediate Similarity NPD3496 Discontinued
0.7154 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD3061 Approved
0.7153 Intermediate Similarity NPD1511 Approved
0.7153 Intermediate Similarity NPD3059 Approved
0.7153 Intermediate Similarity NPD3062 Approved
0.7153 Intermediate Similarity NPD2238 Phase 2
0.7143 Intermediate Similarity NPD940 Approved
0.7143 Intermediate Similarity NPD1817 Approved
0.7143 Intermediate Similarity NPD1818 Approved
0.7143 Intermediate Similarity NPD846 Approved
0.7143 Intermediate Similarity NPD1819 Approved
0.7143 Intermediate Similarity NPD1820 Approved
0.7133 Intermediate Similarity NPD2219 Phase 1
0.7133 Intermediate Similarity NPD6190 Approved
0.7132 Intermediate Similarity NPD5110 Phase 2
0.7132 Intermediate Similarity NPD5111 Phase 2
0.7132 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD5109 Approved
0.7121 Intermediate Similarity NPD4749 Approved
0.7121 Intermediate Similarity NPD3685 Discontinued
0.7119 Intermediate Similarity NPD3020 Approved
0.7114 Intermediate Similarity NPD37 Approved
0.7113 Intermediate Similarity NPD5177 Phase 3
0.7105 Intermediate Similarity NPD6234 Discontinued
0.7101 Intermediate Similarity NPD3657 Discovery
0.7099 Intermediate Similarity NPD3092 Approved
0.7097 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7097 Intermediate Similarity NPD6166 Phase 2
0.7094 Intermediate Similarity NPD288 Approved
0.7092 Intermediate Similarity NPD3540 Phase 1
0.7092 Intermediate Similarity NPD5762 Approved
0.7092 Intermediate Similarity NPD5763 Approved
0.708 Intermediate Similarity NPD9295 Approved
0.7071 Intermediate Similarity NPD5588 Approved
0.7071 Intermediate Similarity NPD5960 Phase 3
0.7068 Intermediate Similarity NPD2922 Phase 1
0.7067 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD6331 Phase 2
0.7059 Intermediate Similarity NPD7095 Approved
0.7059 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD52 Approved
0.7055 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD1512 Approved
0.7055 Intermediate Similarity NPD7526 Approved
0.7054 Intermediate Similarity NPD9545 Approved
0.705 Intermediate Similarity NPD5314 Approved
0.7049 Intermediate Similarity NPD3134 Approved
0.7045 Intermediate Similarity NPD1608 Approved
0.7042 Intermediate Similarity NPD7153 Discontinued
0.7034 Intermediate Similarity NPD4357 Discontinued
0.7027 Intermediate Similarity NPD4005 Discontinued
0.7021 Intermediate Similarity NPD3539 Phase 1
0.702 Intermediate Similarity NPD2560 Approved
0.702 Intermediate Similarity NPD2563 Approved
0.7016 Intermediate Similarity NPD5451 Approved
0.7015 Intermediate Similarity NPD3094 Phase 2
0.7014 Intermediate Similarity NPD5307 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD9299 Approved
0.7007 Intermediate Similarity NPD6798 Discontinued
0.7007 Intermediate Similarity NPD5718 Phase 2
0.7 Intermediate Similarity NPD5691 Approved
0.7 Intermediate Similarity NPD6111 Discontinued
0.6993 Remote Similarity NPD1652 Phase 2
0.6992 Remote Similarity NPD6582 Phase 2
0.6992 Remote Similarity NPD6583 Phase 3
0.6986 Remote Similarity NPD1754 Clinical (unspecified phase)
0.6985 Remote Similarity NPD600 Approved
0.6985 Remote Similarity NPD596 Approved
0.698 Remote Similarity NPD4678 Approved
0.698 Remote Similarity NPD4675 Approved
0.6978 Remote Similarity NPD6355 Discontinued
0.6978 Remote Similarity NPD447 Suspended
0.6978 Remote Similarity NPD4340 Discontinued
0.6974 Remote Similarity NPD4967 Phase 2
0.6974 Remote Similarity NPD4965 Approved
0.6974 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6974 Remote Similarity NPD4966 Approved
0.6966 Remote Similarity NPD5058 Phase 3
0.6963 Remote Similarity NPD558 Phase 2
0.6962 Remote Similarity NPD7054 Approved
0.6957 Remote Similarity NPD839 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3326612
ZINC  

Physicochemical Properties

Molecular Weight:  198.09
ALogP:  -1.4091
MLogP:  2.12
XLogP:  0.055
# Rotatable Bonds:  8
Polar Surface Area:  69.92
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  1
# Heavy Atoms:  14

Download Data

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