Natural Product: NPC189589

Natural Product ID:  NPC189589
Common Name:   4-Hydroxy-3,5-Dimethoxyphenyl Beta-D-Glucopyranosyl-(1->6)-Beta-D-Glucopyranoside
IUPAC Name:   (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3,5-dimethoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C20H30O14
Standard InCHIKey:  BMQJMZFDNFDQNP-JFRFVCMESA-N
Standard InCHI:  InChI=1S/C20H30O14/c1-29-8-3-7(4-9(30-2)12(8)22)32-20-18(28)16(26)14(24)11(34-20)6-31-19-17(27)15(25)13(23)10(5-21)33-19/h3-4,10-11,13-28H,5-6H2,1-2H3/t10-,11-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(OC)c(c(c3)OC)O)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)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
NPO33268 wheat NA NA NA wheat germ PMID[19284743]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 0.85 19114678

  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 NPC189589 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
1.0 High Similarity NPC469622
0.9917 High Similarity NPC37074
0.9833 High Similarity NPC298845
0.9752 High Similarity NPC469621
0.9748 High Similarity NPC192810
0.9748 High Similarity NPC217854
0.9675 High Similarity NPC208769
0.9667 High Similarity NPC25817
0.9667 High Similarity NPC221090
0.9664 High Similarity NPC152722
0.9597 High Similarity NPC287780
0.9516 High Similarity NPC60756
0.9496 High Similarity NPC276195
0.9444 High Similarity NPC60982
0.9355 High Similarity NPC247146
0.9194 High Similarity NPC171533
0.9083 High Similarity NPC228907
0.9 High Similarity NPC9248
0.879 High Similarity NPC57751
0.875 High Similarity NPC142319
0.8657 High Similarity NPC98777
0.8657 High Similarity NPC212770
0.8647 High Similarity NPC164857
0.8647 High Similarity NPC104167
0.8582 High Similarity NPC65530
0.8582 High Similarity NPC59324
0.8571 High Similarity NPC470236
0.8561 High Similarity NPC49074
0.8561 High Similarity NPC132895
0.856 High Similarity NPC205850
0.8548 High Similarity NPC214289
0.854 High Similarity NPC252169
0.8537 High Similarity NPC76915
0.8537 High Similarity NPC151617
0.8507 High Similarity NPC203230
0.8507 High Similarity NPC242028
0.8496 Intermediate Similarity NPC48863
0.8496 Intermediate Similarity NPC251981
0.8496 Intermediate Similarity NPC107478
0.8496 Intermediate Similarity NPC87696
0.8496 Intermediate Similarity NPC13745
0.8485 Intermediate Similarity NPC299144
0.8485 Intermediate Similarity NPC470270
0.8485 Intermediate Similarity NPC162093
0.8467 Intermediate Similarity NPC475084
0.8467 Intermediate Similarity NPC189115
0.8467 Intermediate Similarity NPC469559
0.8429 Intermediate Similarity NPC227902
0.8425 Intermediate Similarity NPC228875
0.8425 Intermediate Similarity NPC105147
0.8425 Intermediate Similarity NPC126216
0.8421 Intermediate Similarity NPC215833
0.8421 Intermediate Similarity NPC69513
0.8417 Intermediate Similarity NPC161700
0.8417 Intermediate Similarity NPC277867
0.8394 Intermediate Similarity NPC469661
0.8372 Intermediate Similarity NPC12308
0.8369 Intermediate Similarity NPC175976
0.8369 Intermediate Similarity NPC478237
0.8357 Intermediate Similarity NPC125755
0.8345 Intermediate Similarity NPC473045
0.8345 Intermediate Similarity NPC25292
0.8309 Intermediate Similarity NPC195196
0.8308 Intermediate Similarity NPC110677
0.8296 Intermediate Similarity NPC238243
0.8286 Intermediate Similarity NPC475096
0.8284 Intermediate Similarity NPC294166
0.8284 Intermediate Similarity NPC115022
0.8273 Intermediate Similarity NPC37793
0.8273 Intermediate Similarity NPC473044
0.8271 Intermediate Similarity NPC166168
0.8258 Intermediate Similarity NPC307110
0.8258 Intermediate Similarity NPC218003
0.8258 Intermediate Similarity NPC248355
0.8244 Intermediate Similarity NPC140750
0.8235 Intermediate Similarity NPC40664
0.8235 Intermediate Similarity NPC197723
0.8235 Intermediate Similarity NPC232654
0.8235 Intermediate Similarity NPC165482
0.8235 Intermediate Similarity NPC138350
0.8235 Intermediate Similarity NPC3293
0.8227 Intermediate Similarity NPC190714
0.8227 Intermediate Similarity NPC99515
0.8222 Intermediate Similarity NPC130496
0.8222 Intermediate Similarity NPC188555
0.8222 Intermediate Similarity NPC35731
0.8214 Intermediate Similarity NPC469313
0.8214 Intermediate Similarity NPC168579
0.8214 Intermediate Similarity NPC76176
0.8214 Intermediate Similarity NPC138227
0.8209 Intermediate Similarity NPC85799
0.8209 Intermediate Similarity NPC26080
0.8209 Intermediate Similarity NPC165686
0.8209 Intermediate Similarity NPC303422
0.8201 Intermediate Similarity NPC472714
0.8201 Intermediate Similarity NPC5262
0.8195 Intermediate Similarity NPC262606
0.8194 Intermediate Similarity NPC213197
0.8182 Intermediate Similarity NPC302378
0.8175 Intermediate Similarity NPC470413
0.8175 Intermediate Similarity NPC87777
0.8175 Intermediate Similarity NPC262328
0.8175 Intermediate Similarity NPC138738
0.8169 Intermediate Similarity NPC15538
0.8169 Intermediate Similarity NPC473480
0.8169 Intermediate Similarity NPC39657
0.8168 Intermediate Similarity NPC233559
0.8167 Intermediate Similarity NPC124712
0.8134 Intermediate Similarity NPC9912
0.8134 Intermediate Similarity NPC248307
0.8134 Intermediate Similarity NPC65942
0.8134 Intermediate Similarity NPC121376
0.812 Intermediate Similarity NPC166040
0.8115 Intermediate Similarity NPC247871
0.8112 Intermediate Similarity NPC130449
0.8112 Intermediate Similarity NPC248132
0.8088 Intermediate Similarity NPC310854
0.8088 Intermediate Similarity NPC170694
0.8085 Intermediate Similarity NPC187774
0.8085 Intermediate Similarity NPC472713
0.8085 Intermediate Similarity NPC473046
0.8085 Intermediate Similarity NPC118385
0.8085 Intermediate Similarity NPC472712
0.8082 Intermediate Similarity NPC78809
0.8074 Intermediate Similarity NPC252833
0.806 Intermediate Similarity NPC472024
0.806 Intermediate Similarity NPC470079
0.806 Intermediate Similarity NPC80600
0.8058 Intermediate Similarity NPC202700
0.8058 Intermediate Similarity NPC210478
0.8058 Intermediate Similarity NPC106944
0.8056 Intermediate Similarity NPC313334
0.8056 Intermediate Similarity NPC212670
0.8056 Intermediate Similarity NPC206264
0.8056 Intermediate Similarity NPC106138
0.8056 Intermediate Similarity NPC286235
0.8056 Intermediate Similarity NPC51328
0.8056 Intermediate Similarity NPC55158
0.8045 Intermediate Similarity NPC198487
0.8045 Intermediate Similarity NPC40377
0.8043 Intermediate Similarity NPC304152
0.8043 Intermediate Similarity NPC124149
0.8029 Intermediate Similarity NPC185778
0.8028 Intermediate Similarity NPC307466
0.8015 Intermediate Similarity NPC6836
0.8015 Intermediate Similarity NPC25821
0.8 Intermediate Similarity NPC257095
0.8 Intermediate Similarity NPC307875
0.8 Intermediate Similarity NPC273932
0.8 Intermediate Similarity NPC469698
0.8 Intermediate Similarity NPC475067
0.8 Intermediate Similarity NPC89686
0.8 Intermediate Similarity NPC473412
0.8 Intermediate Similarity NPC114740
0.8 Intermediate Similarity NPC472710
0.8 Intermediate Similarity NPC472709
0.7986 Intermediate Similarity NPC96294
0.7986 Intermediate Similarity NPC280945
0.7986 Intermediate Similarity NPC100389
0.7985 Intermediate Similarity NPC270849
0.7985 Intermediate Similarity NPC97326
0.7985 Intermediate Similarity NPC26653
0.7971 Intermediate Similarity NPC25695
0.7971 Intermediate Similarity NPC52277
0.7971 Intermediate Similarity NPC199459
0.7971 Intermediate Similarity NPC177035
0.7971 Intermediate Similarity NPC172818
0.7958 Intermediate Similarity NPC297342
0.7956 Intermediate Similarity NPC187194
0.7956 Intermediate Similarity NPC470881
0.7945 Intermediate Similarity NPC473621
0.7943 Intermediate Similarity NPC157816
0.7943 Intermediate Similarity NPC84207
0.7943 Intermediate Similarity NPC5253
0.7943 Intermediate Similarity NPC139976
0.7943 Intermediate Similarity NPC230718
0.7943 Intermediate Similarity NPC49542
0.7943 Intermediate Similarity NPC128337
0.7941 Intermediate Similarity NPC7903
0.7941 Intermediate Similarity NPC16208
0.7941 Intermediate Similarity NPC35932
0.7941 Intermediate Similarity NPC160991
0.7941 Intermediate Similarity NPC184447
0.7923 Intermediate Similarity NPC226712
0.7917 Intermediate Similarity NPC41844
0.7914 Intermediate Similarity NPC326797
0.7914 Intermediate Similarity NPC107551
0.7914 Intermediate Similarity NPC103976
0.7914 Intermediate Similarity NPC134260
0.7914 Intermediate Similarity NPC102904
0.7914 Intermediate Similarity NPC176051
0.7914 Intermediate Similarity NPC474282
0.7899 Intermediate Similarity NPC472337
0.7899 Intermediate Similarity NPC234333
0.7899 Intermediate Similarity NPC260898
0.7899 Intermediate Similarity NPC47398
0.7891 Intermediate Similarity NPC21902
0.7887 Intermediate Similarity NPC470950
0.7887 Intermediate Similarity NPC478239
0.7887 Intermediate Similarity NPC81638

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC189589 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
0.8056 Intermediate Similarity NPD1653 Approved
0.7923 Intermediate Similarity NPD1091 Approved
0.775 Intermediate Similarity NPD291 Approved
0.76 Intermediate Similarity NPD556 Approved
0.7591 Intermediate Similarity NPD3027 Phase 3
0.7554 Intermediate Similarity NPD1613 Approved
0.7554 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7535 Intermediate Similarity NPD3454 Phase 3
0.7319 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD7054 Approved
0.7273 Intermediate Similarity NPD1408 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7074 Phase 3
0.7267 Intermediate Similarity NPD7472 Approved
0.7266 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD9296 Approved
0.7241 Intermediate Similarity NPD7266 Discontinued
0.7143 Intermediate Similarity NPD3537 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7228 Approved
0.7134 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD6797 Phase 2
0.709 Intermediate Similarity NPD7534 Approved
0.709 Intermediate Similarity NPD7533 Approved
0.7073 Intermediate Similarity NPD7251 Discontinued
0.7037 Intermediate Similarity NPD3818 Discontinued
0.703 Intermediate Similarity NPD7808 Phase 3
0.7027 Intermediate Similarity NPD6674 Discontinued
0.7025 Intermediate Similarity NPD6234 Discontinued
0.7 Intermediate Similarity NPD9365 Approved
0.6962 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6923 Remote Similarity NPD37 Approved
0.6912 Remote Similarity NPD1357 Approved
0.6901 Remote Similarity NPD4908 Phase 1
0.6899 Remote Similarity NPD4967 Phase 2
0.6899 Remote Similarity NPD4965 Approved
0.6899 Remote Similarity NPD4966 Approved
0.6884 Remote Similarity NPD3705 Approved
0.6838 Remote Similarity NPD1548 Phase 1
0.6833 Remote Similarity NPD9295 Approved
0.6815 Remote Similarity NPD1934 Approved
0.681 Remote Similarity NPD6168 Clinical (unspecified phase)
0.681 Remote Similarity NPD6167 Clinical (unspecified phase)
0.681 Remote Similarity NPD6166 Phase 2
0.6806 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6806 Remote Similarity NPD6410 Clinical (unspecified phase)
0.68 Remote Similarity NPD1652 Phase 2
0.6792 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6786 Remote Similarity NPD2983 Phase 2
0.6786 Remote Similarity NPD4749 Approved
0.6786 Remote Similarity NPD2982 Phase 2
0.6772 Remote Similarity NPD2801 Approved
0.6769 Remote Similarity NPD290 Approved
0.6763 Remote Similarity NPD1610 Phase 2
0.675 Remote Similarity NPD9094 Approved
0.6728 Remote Similarity NPD7199 Phase 2
0.6714 Remote Similarity NPD2981 Phase 2
0.6692 Remote Similarity NPD968 Approved
0.6667 Remote Similarity NPD521 Clinical (unspecified phase)
0.6667 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5058 Phase 3
0.6667 Remote Similarity NPD7240 Approved
0.6642 Remote Similarity NPD7843 Approved
0.6641 Remote Similarity NPD9552 Approved
0.6618 Remote Similarity NPD191 Approved
0.6604 Remote Similarity NPD3384 Approved
0.6604 Remote Similarity NPD3383 Approved
0.6604 Remote Similarity NPD3382 Approved
0.6597 Remote Similarity NPD3018 Phase 2
0.6597 Remote Similarity NPD2861 Phase 2
0.6591 Remote Similarity NPD2684 Approved
0.6573 Remote Similarity NPD3827 Clinical (unspecified phase)
0.6568 Remote Similarity NPD6559 Discontinued
0.6567 Remote Similarity NPD228 Approved
0.6562 Remote Similarity NPD8455 Phase 2
0.6554 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6554 Remote Similarity NPD5124 Phase 1
0.6547 Remote Similarity NPD1798 Approved
0.6547 Remote Similarity NPD1797 Approved
0.6545 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6531 Remote Similarity NPD6233 Phase 2
0.6525 Remote Similarity NPD422 Phase 1
0.6509 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6507 Remote Similarity NPD4625 Phase 3
0.6496 Remote Similarity NPD6671 Approved
0.6496 Remote Similarity NPD7157 Approved
0.6488 Remote Similarity NPD5844 Phase 1
0.6471 Remote Similarity NPD7685 Pre-registration
0.6467 Remote Similarity NPD4537 Clinical (unspecified phase)
0.6467 Remote Similarity NPD4538 Approved
0.6467 Remote Similarity NPD4536 Approved
0.6463 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6437 Remote Similarity NPD6842 Approved
0.6437 Remote Similarity NPD6841 Approved
0.6437 Remote Similarity NPD6843 Phase 3
0.6434 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6423 Remote Similarity NPD9299 Approved
0.642 Remote Similarity NPD5402 Approved
0.642 Remote Similarity NPD3817 Phase 2
0.6412 Remote Similarity NPD9501 Approved
0.6403 Remote Similarity NPD1103 Approved
0.6403 Remote Similarity NPD1102 Approved
0.64 Remote Similarity NPD2224 Approved
0.64 Remote Similarity NPD2223 Approved
0.6392 Remote Similarity NPD5403 Approved
0.6389 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6387 Remote Similarity NPD6190 Approved
0.6386 Remote Similarity NPD3787 Discontinued
0.638 Remote Similarity NPD3882 Suspended
0.6376 Remote Similarity NPD3620 Phase 2
0.6376 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6375 Remote Similarity NPD4675 Approved
0.6375 Remote Similarity NPD4380 Phase 2
0.6375 Remote Similarity NPD4678 Approved
0.637 Remote Similarity NPD5266 Clinical (unspecified phase)
0.637 Remote Similarity NPD2671 Approved
0.637 Remote Similarity NPD2250 Discontinued
0.637 Remote Similarity NPD2673 Approved
0.6358 Remote Similarity NPD7097 Phase 1
0.6358 Remote Similarity NPD2977 Approved
0.6358 Remote Similarity NPD1465 Phase 2
0.6358 Remote Similarity NPD2978 Approved
0.6341 Remote Similarity NPD7075 Discontinued
0.6341 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6333 Remote Similarity NPD1933 Approved
0.6333 Remote Similarity NPD230 Phase 1
0.6319 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6316 Remote Similarity NPD5960 Phase 3
0.6316 Remote Similarity NPD5588 Approved
0.6306 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6306 Remote Similarity NPD7212 Phase 2
0.6306 Remote Similarity NPD7213 Phase 3
0.6306 Remote Similarity NPD1511 Approved
0.6303 Remote Similarity NPD9093 Approved
0.6301 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6301 Remote Similarity NPD5647 Approved
0.6289 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6276 Remote Similarity NPD8651 Approved
0.6268 Remote Similarity NPD5126 Approved
0.6268 Remote Similarity NPD5125 Phase 3
0.6267 Remote Similarity NPD1558 Phase 1
0.6266 Remote Similarity NPD5401 Approved
0.6265 Remote Similarity NPD5494 Approved
0.6258 Remote Similarity NPD5698 Clinical (unspecified phase)
0.625 Remote Similarity NPD4978 Clinical (unspecified phase)
0.625 Remote Similarity NPD7680 Approved
0.625 Remote Similarity NPD9089 Approved
0.6235 Remote Similarity NPD3751 Discontinued
0.6234 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6234 Remote Similarity NPD1375 Discontinued
0.6234 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6229 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6226 Remote Similarity NPD1512 Approved
0.6224 Remote Similarity NPD915 Approved
0.6224 Remote Similarity NPD3496 Discontinued
0.6218 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6218 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6211 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7033 Discontinued
0.6207 Remote Similarity NPD3685 Discontinued
0.6203 Remote Similarity NPD1774 Approved
0.6196 Remote Similarity NPD6801 Discontinued
0.6194 Remote Similarity NPD1549 Phase 2
0.6184 Remote Similarity NPD6653 Approved
0.6178 Remote Similarity NPD2219 Phase 1
0.6174 Remote Similarity NPD3179 Approved
0.6174 Remote Similarity NPD3180 Approved
0.6171 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6169 Remote Similarity NPD6099 Approved
0.6169 Remote Similarity NPD6100 Approved
0.6164 Remote Similarity NPD7447 Phase 1
0.6159 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6154 Remote Similarity NPD5177 Phase 3
0.6154 Remote Similarity NPD6516 Phase 2
0.6154 Remote Similarity NPD5846 Approved
0.6149 Remote Similarity NPD3686 Approved
0.6149 Remote Similarity NPD7549 Discontinued
0.6149 Remote Similarity NPD3687 Approved
0.6135 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6133 Remote Similarity NPD6798 Discontinued
0.6129 Remote Similarity NPD3540 Phase 1
0.6127 Remote Similarity NPD7007 Discovery
0.6125 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6122 Remote Similarity NPD6362 Approved
0.6118 Remote Similarity NPD4340 Discontinued
0.6115 Remote Similarity NPD4628 Phase 3
0.6115 Remote Similarity NPD5283 Phase 1
0.6114 Remote Similarity NPD8312 Approved
0.6114 Remote Similarity NPD8313 Approved
0.6111 Remote Similarity NPD4005 Discontinued
0.6101 Remote Similarity NPD6799 Approved
0.6101 Remote Similarity NPD4357 Discontinued
0.609 Remote Similarity NPD2424 Discontinued
0.6087 Remote Similarity NPD2122 Discontinued
0.6081 Remote Similarity NPD1469 Clinical (unspecified phase)
0.6076 Remote Similarity NPD2677 Approved
0.6076 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5677 Discontinued
0.6065 Remote Similarity NPD3539 Phase 1
0.6065 Remote Similarity NPD1551 Phase 2
0.6062 Remote Similarity NPD1754 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   42638298
ChEMBL   CHEMBL562563
ZINC  

Physicochemical Properties

Molecular Weight:  494.16
ALogP:  -4.518
MLogP:  2.12
XLogP:  -2.663
# Rotatable Bonds:  18
Polar Surface Area:  217.22
# H-Bond Aceptor:  10
# H-Bond Donor:  8
# Rings:  3
# Heavy Atoms:  34

Download Data

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Structure MOL file  
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Biological Activities  
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