Natural Product: NPC142985

Natural Product ID:  NPC142985
Common Name:   (3R,4S)-4-(4-Hydroxy-3-Methoxyphenyl)-4-Methoxy-3-Methylbutan-2-One
IUPAC Name:   (3R,4S)-4-(4-hydroxy-3-methoxyphenyl)-4-methoxy-3-methylbutan-2-one
Synonyms:  
Molecular Formula:   C13H18O4
Standard InCHIKey:  WLUGKAVAULDYKC-SDBXPKJASA-N
Standard InCHI:  InChI=1S/C13H18O4/c1-8(9(2)14)13(17-4)10-5-6-11(15)12(7-10)16-3/h5-8,13,15H,1-4H3/t8-,13-/m0/s1
Canonical SMILES:  CO[C@@H]([C@H](C(=O)C)C)c1ccc(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
NPO23895 Machilus wangchiana Species Lauraceae Eukaryota bark PMID[19916529]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 67 % 16252913
NPT2 Others Unspecified Inhibition = 47 % PubChem BioAssay data set

  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 NPC142985 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
0.9919 High Similarity NPC469480
0.9839 High Similarity NPC195292
0.944 High Similarity NPC12022
0.944 High Similarity NPC20287
0.944 High Similarity NPC293641
0.944 High Similarity NPC20404
0.9365 High Similarity NPC278308
0.9308 High Similarity NPC470990
0.9219 High Similarity NPC137427
0.9219 High Similarity NPC244246
0.9219 High Similarity NPC311419
0.9219 High Similarity NPC215941
0.9219 High Similarity NPC123196
0.9219 High Similarity NPC319282
0.9219 High Similarity NPC275724
0.9219 High Similarity NPC65935
0.912 High Similarity NPC163083
0.912 High Similarity NPC244876
0.9113 High Similarity NPC201777
0.903 High Similarity NPC474784
0.903 High Similarity NPC322021
0.9024 High Similarity NPC299406
0.8976 High Similarity NPC53305
0.8976 High Similarity NPC257589
0.8963 High Similarity NPC470991
0.896 High Similarity NPC476343
0.8906 High Similarity NPC92207
0.8906 High Similarity NPC127937
0.8889 High Similarity NPC114298
0.8889 High Similarity NPC147379
0.8872 High Similarity NPC152209
0.8871 High Similarity NPC181969
0.8871 High Similarity NPC320987
0.8864 High Similarity NPC327410
0.8864 High Similarity NPC129889
0.8864 High Similarity NPC307006
0.8841 High Similarity NPC223185
0.8837 High Similarity NPC281020
0.8828 High Similarity NPC280767
0.8819 High Similarity NPC242372
0.8819 High Similarity NPC164778
0.8819 High Similarity NPC4181
0.8819 High Similarity NPC257976
0.8815 High Similarity NPC325625
0.881 High Similarity NPC194416
0.881 High Similarity NPC470804
0.881 High Similarity NPC177291
0.88 High Similarity NPC177475
0.88 High Similarity NPC35071
0.88 High Similarity NPC148615
0.879 High Similarity NPC255675
0.8786 High Similarity NPC1580
0.8769 High Similarity NPC226661
0.8768 High Similarity NPC239608
0.8768 High Similarity NPC27159
0.8768 High Similarity NPC46161
0.876 High Similarity NPC84076
0.876 High Similarity NPC90128
0.876 High Similarity NPC303680
0.875 High Similarity NPC203351
0.875 High Similarity NPC312404
0.875 High Similarity NPC273686
0.873 High Similarity NPC158949
0.872 High Similarity NPC135961
0.8714 High Similarity NPC472333
0.8714 High Similarity NPC208507
0.8702 High Similarity NPC304622
0.8692 High Similarity NPC123228
0.8692 High Similarity NPC118533
0.8692 High Similarity NPC123722
0.8692 High Similarity NPC276466
0.8692 High Similarity NPC5018
0.8692 High Similarity NPC165045
0.8692 High Similarity NPC151167
0.8686 High Similarity NPC100675
0.8682 High Similarity NPC148627
0.8672 High Similarity NPC471693
0.8647 High Similarity NPC239302
0.8647 High Similarity NPC50763
0.8636 High Similarity NPC172673
0.8629 High Similarity NPC221049
0.8626 High Similarity NPC45774
0.8626 High Similarity NPC282703
0.8626 High Similarity NPC11258
0.8626 High Similarity NPC21867
0.8626 High Similarity NPC129570
0.8626 High Similarity NPC128208
0.8626 High Similarity NPC184733
0.8615 High Similarity NPC179777
0.8603 High Similarity NPC281780
0.8594 High Similarity NPC209567
0.8593 High Similarity NPC113295
0.8593 High Similarity NPC139519
0.8583 High Similarity NPC98305
0.8571 High Similarity NPC311595
0.8571 High Similarity NPC24474
0.856 High Similarity NPC164386
0.8551 High Similarity NPC19158
0.855 High Similarity NPC5428
0.8538 High Similarity NPC3221
0.8527 High Similarity NPC165375
0.8527 High Similarity NPC220598
0.8519 High Similarity NPC68779
0.8519 High Similarity NPC300776
0.8519 High Similarity NPC67247
0.8519 High Similarity NPC176814
0.8519 High Similarity NPC4982
0.8519 High Similarity NPC471110
0.8519 High Similarity NPC5310
0.8511 High Similarity NPC474799
0.85 High Similarity NPC469615
0.8496 Intermediate Similarity NPC153739
0.8496 Intermediate Similarity NPC42300
0.8496 Intermediate Similarity NPC242807
0.8496 Intermediate Similarity NPC64201
0.8496 Intermediate Similarity NPC92164
0.8496 Intermediate Similarity NPC145305
0.8496 Intermediate Similarity NPC241522
0.8496 Intermediate Similarity NPC174495
0.8496 Intermediate Similarity NPC77040
0.8496 Intermediate Similarity NPC187998
0.8496 Intermediate Similarity NPC257582
0.8492 Intermediate Similarity NPC205502
0.8489 Intermediate Similarity NPC472335
0.8489 Intermediate Similarity NPC253722
0.8489 Intermediate Similarity NPC253481
0.8489 Intermediate Similarity NPC472332
0.8489 Intermediate Similarity NPC31751
0.8485 Intermediate Similarity NPC474178
0.8485 Intermediate Similarity NPC252307
0.8485 Intermediate Similarity NPC245826
0.8483 Intermediate Similarity NPC327225
0.8478 Intermediate Similarity NPC289690
0.8478 Intermediate Similarity NPC4796
0.8478 Intermediate Similarity NPC288452
0.8473 Intermediate Similarity NPC58607
0.8473 Intermediate Similarity NPC191037
0.8473 Intermediate Similarity NPC178284
0.8462 Intermediate Similarity NPC474903
0.8462 Intermediate Similarity NPC125570
0.8451 Intermediate Similarity NPC283081
0.8451 Intermediate Similarity NPC30720
0.8451 Intermediate Similarity NPC221383
0.8451 Intermediate Similarity NPC143892
0.8451 Intermediate Similarity NPC299090
0.845 Intermediate Similarity NPC85488
0.8444 Intermediate Similarity NPC283823
0.8444 Intermediate Similarity NPC475468
0.8444 Intermediate Similarity NPC159418
0.844 Intermediate Similarity NPC474982
0.844 Intermediate Similarity NPC469683
0.8438 Intermediate Similarity NPC207613
0.8433 Intermediate Similarity NPC161557
0.8433 Intermediate Similarity NPC158079
0.8433 Intermediate Similarity NPC228346
0.8433 Intermediate Similarity NPC27843
0.8433 Intermediate Similarity NPC40432
0.8433 Intermediate Similarity NPC7171
0.8433 Intermediate Similarity NPC277804
0.8433 Intermediate Similarity NPC115207
0.8433 Intermediate Similarity NPC474017
0.8429 Intermediate Similarity NPC106920
0.8429 Intermediate Similarity NPC273657
0.8429 Intermediate Similarity NPC285550
0.8425 Intermediate Similarity NPC25127
0.8421 Intermediate Similarity NPC170844
0.8421 Intermediate Similarity NPC475875
0.8421 Intermediate Similarity NPC476968
0.8421 Intermediate Similarity NPC241354
0.8413 Intermediate Similarity NPC293619
0.8409 Intermediate Similarity NPC292056
0.8409 Intermediate Similarity NPC16651
0.8409 Intermediate Similarity NPC319625
0.8409 Intermediate Similarity NPC118787
0.8409 Intermediate Similarity NPC183181
0.8409 Intermediate Similarity NPC32163
0.8409 Intermediate Similarity NPC147821
0.8409 Intermediate Similarity NPC111247
0.8409 Intermediate Similarity NPC41706
0.8409 Intermediate Similarity NPC163332
0.8397 Intermediate Similarity NPC194519
0.8397 Intermediate Similarity NPC173608
0.8394 Intermediate Similarity NPC90431
0.8394 Intermediate Similarity NPC471988
0.8392 Intermediate Similarity NPC98009
0.8385 Intermediate Similarity NPC280704
0.8382 Intermediate Similarity NPC37065
0.8382 Intermediate Similarity NPC106406
0.838 Intermediate Similarity NPC30890
0.8374 Intermediate Similarity NPC8547
0.8374 Intermediate Similarity NPC257124
0.8374 Intermediate Similarity NPC156840
0.8374 Intermediate Similarity NPC173746
0.8372 Intermediate Similarity NPC49341
0.8372 Intermediate Similarity NPC324571
0.8372 Intermediate Similarity NPC54872
0.8372 Intermediate Similarity NPC343720
0.8372 Intermediate Similarity NPC184651
0.8372 Intermediate Similarity NPC113865
0.8372 Intermediate Similarity NPC473853

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC142985 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
0.8421 Intermediate Similarity NPD3027 Phase 3
0.8374 Intermediate Similarity NPD228 Approved
0.8244 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.8231 Intermediate Similarity NPD1934 Approved
0.8134 Intermediate Similarity NPD9494 Approved
0.8054 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD2801 Approved
0.7842 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7842 Intermediate Similarity NPD1613 Approved
0.7829 Intermediate Similarity NPD3882 Suspended
0.7821 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD6166 Phase 2
0.7812 Intermediate Similarity NPD5283 Phase 1
0.7808 Intermediate Similarity NPD1511 Approved
0.7727 Intermediate Similarity NPD6234 Discontinued
0.7724 Intermediate Similarity NPD4110 Phase 3
0.7724 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.771 Intermediate Similarity NPD5536 Phase 2
0.7703 Intermediate Similarity NPD1512 Approved
0.7687 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7681 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.766 Intermediate Similarity NPD230 Phase 1
0.7632 Intermediate Similarity NPD37 Approved
0.7625 Intermediate Similarity NPD7074 Phase 3
0.761 Intermediate Similarity NPD3818 Discontinued
0.7609 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7594 Intermediate Similarity NPD1357 Approved
0.7589 Intermediate Similarity NPD3620 Phase 2
0.7589 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD7054 Approved
0.7556 Intermediate Similarity NPD3705 Approved
0.7536 Intermediate Similarity NPD5647 Approved
0.7535 Intermediate Similarity NPD447 Suspended
0.7535 Intermediate Similarity NPD6355 Discontinued
0.7532 Intermediate Similarity NPD3817 Phase 2
0.7516 Intermediate Similarity NPD7472 Approved
0.75 Intermediate Similarity NPD1608 Approved
0.75 Intermediate Similarity NPD1510 Phase 2
0.75 Intermediate Similarity NPD3021 Approved
0.75 Intermediate Similarity NPD4380 Phase 2
0.75 Intermediate Similarity NPD3022 Approved
0.7484 Intermediate Similarity NPD4965 Approved
0.7484 Intermediate Similarity NPD4967 Phase 2
0.7484 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD4966 Approved
0.7483 Intermediate Similarity NPD4628 Phase 3
0.7465 Intermediate Similarity NPD1240 Approved
0.7463 Intermediate Similarity NPD1651 Approved
0.7448 Intermediate Similarity NPD2935 Discontinued
0.7447 Intermediate Similarity NPD6798 Discontinued
0.7438 Intermediate Similarity NPD7473 Discontinued
0.7432 Intermediate Similarity NPD6190 Approved
0.7422 Intermediate Similarity NPD2684 Approved
0.7397 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD6233 Phase 2
0.7391 Intermediate Similarity NPD1283 Approved
0.7391 Intermediate Similarity NPD7228 Approved
0.7365 Intermediate Similarity NPD8166 Discontinued
0.7362 Intermediate Similarity NPD6797 Phase 2
0.7361 Intermediate Similarity NPD6653 Approved
0.7361 Intermediate Similarity NPD1607 Approved
0.7358 Intermediate Similarity NPD6232 Discontinued
0.7357 Intermediate Similarity NPD2861 Phase 2
0.7347 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD1549 Phase 2
0.7343 Intermediate Similarity NPD826 Approved
0.7343 Intermediate Similarity NPD825 Approved
0.7343 Intermediate Similarity NPD4060 Phase 1
0.7343 Intermediate Similarity NPD1558 Phase 1
0.7343 Intermediate Similarity NPD943 Approved
0.7342 Intermediate Similarity NPD5494 Approved
0.7329 Intermediate Similarity NPD9570 Approved
0.7328 Intermediate Similarity NPD7843 Approved
0.7317 Intermediate Similarity NPD7251 Discontinued
0.7293 Intermediate Similarity NPD7157 Approved
0.7285 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD7266 Discontinued
0.7279 Intermediate Similarity NPD17 Approved
0.7279 Intermediate Similarity NPD1778 Approved
0.7273 Intermediate Similarity NPD7808 Phase 3
0.7273 Intermediate Similarity NPD4062 Phase 3
0.7273 Intermediate Similarity NPD1241 Discontinued
0.7273 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2674 Phase 3
0.7259 Intermediate Similarity NPD9545 Approved
0.7255 Intermediate Similarity NPD3686 Approved
0.7255 Intermediate Similarity NPD3687 Approved
0.7255 Intermediate Similarity NPD1653 Approved
0.7246 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD7075 Discontinued
0.7203 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD3144 Approved
0.7203 Intermediate Similarity NPD3145 Approved
0.7194 Intermediate Similarity NPD2983 Phase 2
0.7194 Intermediate Similarity NPD2982 Phase 2
0.719 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD8127 Discontinued
0.7188 Intermediate Similarity NPD7199 Phase 2
0.7181 Intermediate Similarity NPD3060 Approved
0.7174 Intermediate Similarity NPD1281 Approved
0.7174 Intermediate Similarity NPD1535 Discovery
0.7171 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7171 Intermediate Similarity NPD3146 Approved
0.7163 Intermediate Similarity NPD258 Approved
0.7163 Intermediate Similarity NPD257 Approved
0.7162 Intermediate Similarity NPD1375 Discontinued
0.7162 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7162 Intermediate Similarity NPD6004 Phase 3
0.7162 Intermediate Similarity NPD6002 Phase 3
0.7162 Intermediate Similarity NPD6005 Phase 3
0.7162 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD7028 Phase 2
0.7154 Intermediate Similarity NPD9296 Approved
0.7143 Intermediate Similarity NPD7033 Discontinued
0.7143 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD7095 Approved
0.7122 Intermediate Similarity NPD1481 Phase 2
0.7122 Intermediate Similarity NPD2981 Phase 2
0.7113 Intermediate Similarity NPD3018 Phase 2
0.7108 Intermediate Similarity NPD7685 Pre-registration
0.7105 Intermediate Similarity NPD6799 Approved
0.7103 Intermediate Similarity NPD2979 Phase 3
0.7101 Intermediate Similarity NPD3847 Discontinued
0.7099 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD6100 Approved
0.7095 Intermediate Similarity NPD2438 Suspended
0.7095 Intermediate Similarity NPD2796 Approved
0.7095 Intermediate Similarity NPD6099 Approved
0.7089 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7077 Intermediate Similarity NPD290 Approved
0.7077 Intermediate Similarity NPD1358 Approved
0.7071 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD4236 Phase 3
0.7067 Intermediate Similarity NPD4237 Approved
0.7063 Intermediate Similarity NPD4908 Phase 1
0.7059 Intermediate Similarity NPD2532 Approved
0.7059 Intermediate Similarity NPD2534 Approved
0.7059 Intermediate Similarity NPD2533 Approved
0.7059 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD555 Phase 2
0.705 Intermediate Similarity NPD1610 Phase 2
0.705 Intermediate Similarity NPD1091 Approved
0.7048 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD2798 Approved
0.7037 Intermediate Similarity NPD6671 Approved
0.7034 Intermediate Similarity NPD259 Phase 1
0.7034 Intermediate Similarity NPD1726 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD5844 Phase 1
0.7029 Intermediate Similarity NPD2932 Approved
0.7029 Intermediate Similarity NPD9381 Approved
0.7029 Intermediate Similarity NPD9384 Approved
0.7029 Intermediate Similarity NPD4626 Approved
0.7029 Intermediate Similarity NPD3019 Approved
0.7027 Intermediate Similarity NPD2799 Discontinued
0.7025 Intermediate Similarity NPD1465 Phase 2
0.702 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1894 Discontinued
0.7006 Intermediate Similarity NPD6385 Approved
0.7006 Intermediate Similarity NPD6559 Discontinued
0.7006 Intermediate Similarity NPD6386 Approved
0.7 Intermediate Similarity NPD5958 Discontinued
0.7 Intermediate Similarity NPD4534 Discontinued
0.7 Intermediate Similarity NPD9269 Phase 2
0.7 Intermediate Similarity NPD2424 Discontinued
0.6993 Remote Similarity NPD4357 Discontinued
0.6987 Remote Similarity NPD3455 Phase 2
0.6987 Remote Similarity NPD824 Approved
0.6981 Remote Similarity NPD5402 Approved
0.698 Remote Similarity NPD2161 Phase 2
0.698 Remote Similarity NPD5712 Approved
0.6978 Remote Similarity NPD3496 Discontinued
0.6975 Remote Similarity NPD1247 Approved
0.6974 Remote Similarity NPD2219 Phase 1
0.6966 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6801 Discontinued
0.6959 Remote Similarity NPD7097 Phase 1
0.6957 Remote Similarity NPD5585 Approved
0.6957 Remote Similarity NPD919 Approved
0.6954 Remote Similarity NPD6674 Discontinued
0.6953 Remote Similarity NPD291 Approved
0.695 Remote Similarity NPD9622 Approved
0.6948 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6943 Remote Similarity NPD6599 Discontinued
0.6933 Remote Similarity NPD3787 Discontinued
0.6933 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6933 Remote Similarity NPD5763 Approved
0.6933 Remote Similarity NPD5762 Approved
0.6929 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6928 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6918 Remote Similarity NPD2977 Approved
0.6918 Remote Similarity NPD7819 Suspended
0.6918 Remote Similarity NPD2978 Approved
0.6917 Remote Similarity NPD9280 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   44613168
ChEMBL   CHEMBL1075663
ZINC  

Physicochemical Properties

Molecular Weight:  238.12
ALogP:  -0.5734
MLogP:  2.45
XLogP:  1.023
# Rotatable Bonds:  10
Polar Surface Area:  55.76
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  17

Download Data

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