Natural Product: NPC127406

Natural Product ID:  NPC127406
Common Name:   2',4,6'-Trihydroxy-4'-Methoxydihydrochalcone 2'-O-Beta-D-Glucopyranoside 2''-Acetate
IUPAC Name:   [(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-6-(hydroxymethyl)oxan-3-yl] acetate
Synonyms:  
Molecular Formula:   C24H28O11
Standard InCHIKey:  MLDPUOQFWOXHRX-PFKOEMKTSA-N
Standard InCHI:  InChI=1S/C24H28O11/c1-12(26)33-23-22(31)21(30)19(11-25)35-24(23)34-18-10-15(32-2)9-17(29)20(18)16(28)8-5-13-3-6-14(27)7-4-13/h3-4,6-7,9-10,19,21-25,27,29-31H,5,8,11H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(OC)cc(c2C(=O)CCc2ccc(cc2)O)O)[C@@H]([C@H]([C@@H]1O)O)OC(=O)C
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
NPO13961 Pieris japonica Species Ericaceae Eukaryota Leaves PMID[15787442]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 44.99 10'-3cpm 17967913
NPT2 Others Unspecified Activity = 29.75 10'-3cpm 16472241
NPT2 Others Unspecified Activity = 46.64 10'-3cpm 16472241
NPT2 Others Unspecified Activity = 70.14 10'-3cpm 16472241
NPT2 Others Unspecified Activity = 81.64 10'-3cpm 16472241
NPT2 Others Unspecified Activity = 83.28 10'-3cpm 16472241

  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 NPC127406 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
0.9933 High Similarity NPC43638
0.9865 High Similarity NPC106625
0.9799 High Similarity NPC99233
0.9797 High Similarity NPC121001
0.9797 High Similarity NPC259182
0.9733 High Similarity NPC206378
0.9669 High Similarity NPC23817
0.9669 High Similarity NPC6985
0.9667 High Similarity NPC97052
0.9667 High Similarity NPC169248
0.9667 High Similarity NPC72649
0.9667 High Similarity NPC27408
0.9667 High Similarity NPC26195
0.9667 High Similarity NPC39351
0.9667 High Similarity NPC95090
0.9664 High Similarity NPC259767
0.9664 High Similarity NPC88484
0.9608 High Similarity NPC85707
0.9608 High Similarity NPC224530
0.9608 High Similarity NPC101636
0.9608 High Similarity NPC48093
0.9608 High Similarity NPC216496
0.9608 High Similarity NPC259957
0.9608 High Similarity NPC159579
0.9608 High Similarity NPC129217
0.9605 High Similarity NPC73511
0.9605 High Similarity NPC43761
0.9603 High Similarity NPC170475
0.96 High Similarity NPC39360
0.96 High Similarity NPC143851
0.96 High Similarity NPC210003
0.96 High Similarity NPC29763
0.96 High Similarity NPC83283
0.9545 High Similarity NPC472876
0.9545 High Similarity NPC298171
0.9545 High Similarity NPC27942
0.9542 High Similarity NPC153342
0.9542 High Similarity NPC97285
0.9542 High Similarity NPC246469
0.9542 High Similarity NPC271270
0.9542 High Similarity NPC142860
0.9539 High Similarity NPC108831
0.9539 High Similarity NPC129827
0.9539 High Similarity NPC60966
0.9539 High Similarity NPC182634
0.9539 High Similarity NPC44931
0.9539 High Similarity NPC313163
0.9539 High Similarity NPC65003
0.9539 High Similarity NPC473512
0.9539 High Similarity NPC156457
0.9539 High Similarity NPC258035
0.9539 High Similarity NPC197896
0.9539 High Similarity NPC161749
0.953 High Similarity NPC106025
0.953 High Similarity NPC214454
0.953 High Similarity NPC477240
0.953 High Similarity NPC191154
0.9527 High Similarity NPC199335
0.9484 High Similarity NPC121703
0.9481 High Similarity NPC210961
0.9481 High Similarity NPC303913
0.9481 High Similarity NPC477629
0.9481 High Similarity NPC270675
0.9481 High Similarity NPC477628
0.9481 High Similarity NPC195685
0.9481 High Similarity NPC472994
0.9481 High Similarity NPC282169
0.9477 High Similarity NPC41121
0.9477 High Similarity NPC22062
0.9477 High Similarity NPC308265
0.9477 High Similarity NPC104677
0.9477 High Similarity NPC472459
0.9477 High Similarity NPC111929
0.9477 High Similarity NPC320283
0.9477 High Similarity NPC138811
0.9477 High Similarity NPC473634
0.9474 High Similarity NPC203500
0.9474 High Similarity NPC323593
0.9474 High Similarity NPC45165
0.9474 High Similarity NPC149368
0.9474 High Similarity NPC307938
0.9474 High Similarity NPC265480
0.947 High Similarity NPC211158
0.947 High Similarity NPC78021
0.947 High Similarity NPC87304
0.947 High Similarity NPC268950
0.947 High Similarity NPC108706
0.9467 High Similarity NPC190217
0.9467 High Similarity NPC134819
0.9459 High Similarity NPC23084
0.9459 High Similarity NPC302989
0.9423 High Similarity NPC139060
0.9423 High Similarity NPC72016
0.9419 High Similarity NPC131745
0.9419 High Similarity NPC44947
0.9419 High Similarity NPC190450
0.9419 High Similarity NPC259834
0.9419 High Similarity NPC127782
0.9419 High Similarity NPC300537
0.9416 High Similarity NPC187379
0.9416 High Similarity NPC271479
0.9416 High Similarity NPC473623
0.9416 High Similarity NPC472320
0.9416 High Similarity NPC200708
0.9412 High Similarity NPC77672
0.9412 High Similarity NPC78263
0.9412 High Similarity NPC135391
0.9412 High Similarity NPC197304
0.9412 High Similarity NPC122809
0.9412 High Similarity NPC133671
0.9412 High Similarity NPC54802
0.9408 High Similarity NPC470605
0.9408 High Similarity NPC470603
0.9408 High Similarity NPC470604
0.94 High Similarity NPC213723
0.9363 High Similarity NPC64425
0.9363 High Similarity NPC298666
0.9363 High Similarity NPC68592
0.9363 High Similarity NPC262222
0.9359 High Similarity NPC80068
0.9359 High Similarity NPC66087
0.9359 High Similarity NPC179198
0.9359 High Similarity NPC183672
0.9359 High Similarity NPC257566
0.9359 High Similarity NPC278419
0.9359 High Similarity NPC124155
0.9355 High Similarity NPC253788
0.9355 High Similarity NPC249281
0.9355 High Similarity NPC473438
0.9355 High Similarity NPC265885
0.9355 High Similarity NPC476215
0.9355 High Similarity NPC139320
0.9355 High Similarity NPC181465
0.9355 High Similarity NPC163242
0.9355 High Similarity NPC47923
0.9355 High Similarity NPC246943
0.9355 High Similarity NPC215710
0.9355 High Similarity NPC173582
0.9355 High Similarity NPC116458
0.9355 High Similarity NPC276377
0.9346 High Similarity NPC473657
0.9346 High Similarity NPC261866
0.9346 High Similarity NPC295613
0.9329 High Similarity NPC218685
0.9308 High Similarity NPC199079
0.9308 High Similarity NPC76047
0.9308 High Similarity NPC210808
0.9304 High Similarity NPC116745
0.9299 High Similarity NPC129264
0.9299 High Similarity NPC19240
0.9299 High Similarity NPC85751
0.9299 High Similarity NPC7752
0.9299 High Similarity NPC205824
0.9295 High Similarity NPC475382
0.9295 High Similarity NPC150164
0.9295 High Similarity NPC240306
0.929 High Similarity NPC470405
0.929 High Similarity NPC471079
0.929 High Similarity NPC136761
0.929 High Similarity NPC304741
0.9286 High Similarity NPC288084
0.9286 High Similarity NPC470606
0.9272 High Similarity NPC38775
0.925 High Similarity NPC257011
0.925 High Similarity NPC9002
0.925 High Similarity NPC472386
0.925 High Similarity NPC288152
0.925 High Similarity NPC137871
0.9241 High Similarity NPC473278
0.9241 High Similarity NPC89809
0.9241 High Similarity NPC5778
0.9241 High Similarity NPC260504
0.9241 High Similarity NPC70441
0.9241 High Similarity NPC236934
0.9236 High Similarity NPC29830
0.9236 High Similarity NPC311850
0.9236 High Similarity NPC243930
0.9236 High Similarity NPC88023
0.9236 High Similarity NPC19709
0.9236 High Similarity NPC473644
0.9236 High Similarity NPC309025
0.9231 High Similarity NPC170052
0.9231 High Similarity NPC470125
0.9231 High Similarity NPC297987
0.9231 High Similarity NPC64305
0.9231 High Similarity NPC135846
0.9226 High Similarity NPC470607
0.9216 High Similarity NPC299435
0.9216 High Similarity NPC260604
0.9211 High Similarity NPC23253
0.9211 High Similarity NPC295650
0.9205 High Similarity NPC477941
0.92 High Similarity NPC476182
0.92 High Similarity NPC176869
0.92 High Similarity NPC3779
0.92 High Similarity NPC122828
0.92 High Similarity NPC211466
0.92 High Similarity NPC40086
0.92 High Similarity NPC44721
0.9195 High Similarity NPC291153

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC127406 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
0.9539 High Similarity NPD4381 Clinical (unspecified phase)
0.9125 High Similarity NPD7804 Clinical (unspecified phase)
0.9068 High Similarity NPD7074 Phase 3
0.9038 High Similarity NPD7075 Discontinued
0.9006 High Similarity NPD7054 Approved
0.8951 High Similarity NPD7472 Approved
0.8944 High Similarity NPD3818 Discontinued
0.8903 High Similarity NPD6801 Discontinued
0.8902 High Similarity NPD4338 Clinical (unspecified phase)
0.8896 High Similarity NPD4380 Phase 2
0.8896 High Similarity NPD6797 Phase 2
0.8851 High Similarity NPD1552 Clinical (unspecified phase)
0.8851 High Similarity NPD1550 Clinical (unspecified phase)
0.8846 High Similarity NPD7096 Clinical (unspecified phase)
0.8841 High Similarity NPD7251 Discontinued
0.8841 High Similarity NPD6559 Discontinued
0.8792 High Similarity NPD1549 Phase 2
0.8788 High Similarity NPD7808 Phase 3
0.8782 High Similarity NPD1934 Approved
0.875 High Similarity NPD6799 Approved
0.8726 High Similarity NPD2393 Clinical (unspecified phase)
0.8718 High Similarity NPD7411 Suspended
0.8589 High Similarity NPD6166 Phase 2
0.8589 High Similarity NPD6167 Clinical (unspecified phase)
0.8589 High Similarity NPD6168 Clinical (unspecified phase)
0.8581 High Similarity NPD5403 Approved
0.8571 High Similarity NPD4378 Clinical (unspecified phase)
0.8553 High Similarity NPD3817 Phase 2
0.8535 High Similarity NPD6599 Discontinued
0.85 High Similarity NPD4868 Clinical (unspecified phase)
0.8491 Intermediate Similarity NPD7819 Suspended
0.8452 Intermediate Similarity NPD5401 Approved
0.8438 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8411 Intermediate Similarity NPD2796 Approved
0.8375 Intermediate Similarity NPD2801 Approved
0.8344 Intermediate Similarity NPD1510 Phase 2
0.8333 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8323 Intermediate Similarity NPD5402 Approved
0.8322 Intermediate Similarity NPD1240 Approved
0.8269 Intermediate Similarity NPD1511 Approved
0.8253 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.8212 Intermediate Similarity NPD1607 Approved
0.8194 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD4628 Phase 3
0.8188 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8165 Intermediate Similarity NPD1512 Approved
0.816 Intermediate Similarity NPD3882 Suspended
0.8129 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8118 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8081 Intermediate Similarity NPD8313 Approved
0.8081 Intermediate Similarity NPD8312 Approved
0.8077 Intermediate Similarity NPD3750 Approved
0.8072 Intermediate Similarity NPD6959 Discontinued
0.8052 Intermediate Similarity NPD1551 Phase 2
0.8049 Intermediate Similarity NPD7768 Phase 2
0.8037 Intermediate Similarity NPD8455 Phase 2
0.8024 Intermediate Similarity NPD6232 Discontinued
0.8 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD5844 Phase 1
0.8 Intermediate Similarity NPD3749 Approved
0.7988 Intermediate Similarity NPD7473 Discontinued
0.7964 Intermediate Similarity NPD7199 Phase 2
0.795 Intermediate Similarity NPD1653 Approved
0.7949 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7908 Intermediate Similarity NPD1933 Approved
0.7904 Intermediate Similarity NPD5494 Approved
0.7892 Intermediate Similarity NPD7584 Approved
0.7871 Intermediate Similarity NPD7033 Discontinued
0.7821 Intermediate Similarity NPD2935 Discontinued
0.7818 Intermediate Similarity NPD1465 Phase 2
0.7815 Intermediate Similarity NPD6832 Phase 2
0.7803 Intermediate Similarity NPD5953 Discontinued
0.7791 Intermediate Similarity NPD7286 Phase 2
0.779 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD920 Approved
0.7765 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD2534 Approved
0.7764 Intermediate Similarity NPD2532 Approved
0.7764 Intermediate Similarity NPD2533 Approved
0.7758 Intermediate Similarity NPD37 Approved
0.7756 Intermediate Similarity NPD3748 Approved
0.7738 Intermediate Similarity NPD6234 Discontinued
0.7733 Intermediate Similarity NPD7228 Approved
0.7733 Intermediate Similarity NPD3751 Discontinued
0.7733 Intermediate Similarity NPD1203 Approved
0.773 Intermediate Similarity NPD7435 Discontinued
0.7725 Intermediate Similarity NPD4965 Approved
0.7725 Intermediate Similarity NPD4966 Approved
0.7725 Intermediate Similarity NPD4967 Phase 2
0.7713 Intermediate Similarity NPD8151 Discontinued
0.7712 Intermediate Similarity NPD6798 Discontinued
0.7706 Intermediate Similarity NPD3787 Discontinued
0.7703 Intermediate Similarity NPD1091 Approved
0.7702 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7683 Intermediate Similarity NPD7458 Discontinued
0.7673 Intermediate Similarity NPD1243 Approved
0.7673 Intermediate Similarity NPD1652 Phase 2
0.7673 Intermediate Similarity NPD2800 Approved
0.7663 Intermediate Similarity NPD6781 Approved
0.7663 Intermediate Similarity NPD6779 Approved
0.7663 Intermediate Similarity NPD6776 Approved
0.7663 Intermediate Similarity NPD6780 Approved
0.7663 Intermediate Similarity NPD6782 Approved
0.7663 Intermediate Similarity NPD6777 Approved
0.7663 Intermediate Similarity NPD6778 Approved
0.766 Intermediate Similarity NPD7585 Approved
0.7657 Intermediate Similarity NPD7685 Pre-registration
0.7654 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD2799 Discontinued
0.764 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7632 Intermediate Similarity NPD7783 Phase 2
0.7632 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD6651 Approved
0.7613 Intermediate Similarity NPD1613 Approved
0.7613 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD7583 Approved
0.7597 Intermediate Similarity NPD2313 Discontinued
0.7597 Intermediate Similarity NPD3268 Approved
0.759 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD3226 Approved
0.7564 Intermediate Similarity NPD5124 Phase 1
0.7564 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD6233 Phase 2
0.7547 Intermediate Similarity NPD7266 Discontinued
0.7546 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD9717 Approved
0.7529 Intermediate Similarity NPD919 Approved
0.7514 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2797 Approved
0.7487 Intermediate Similarity NPD7874 Approved
0.7487 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7486 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD4908 Phase 1
0.7467 Intermediate Similarity NPD422 Phase 1
0.7452 Intermediate Similarity NPD6355 Discontinued
0.7452 Intermediate Similarity NPD230 Phase 1
0.7451 Intermediate Similarity NPD2798 Approved
0.7447 Intermediate Similarity NPD7696 Phase 3
0.7447 Intermediate Similarity NPD7697 Approved
0.7447 Intermediate Similarity NPD7698 Approved
0.7444 Intermediate Similarity NPD8434 Phase 2
0.7438 Intermediate Similarity NPD2346 Discontinued
0.7438 Intermediate Similarity NPD2344 Approved
0.7414 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD7871 Phase 2
0.7407 Intermediate Similarity NPD7870 Phase 2
0.7394 Intermediate Similarity NPD6823 Phase 2
0.7391 Intermediate Similarity NPD4360 Phase 2
0.7391 Intermediate Similarity NPD6535 Approved
0.7391 Intermediate Similarity NPD4363 Phase 3
0.7391 Intermediate Similarity NPD6534 Approved
0.7389 Intermediate Similarity NPD943 Approved
0.7382 Intermediate Similarity NPD7701 Phase 2
0.7375 Intermediate Similarity NPD6100 Approved
0.7375 Intermediate Similarity NPD6099 Approved
0.7372 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD6190 Approved
0.736 Intermediate Similarity NPD7240 Approved
0.7358 Intermediate Similarity NPD7097 Phase 1
0.7356 Intermediate Similarity NPD3926 Phase 2
0.7355 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD1610 Phase 2
0.7342 Intermediate Similarity NPD447 Suspended
0.7342 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD3225 Approved
0.7316 Intermediate Similarity NPD8320 Phase 1
0.7316 Intermediate Similarity NPD8319 Approved
0.7315 Intermediate Similarity NPD1548 Phase 1
0.7315 Intermediate Similarity NPD9545 Approved
0.7312 Intermediate Similarity NPD4308 Phase 3
0.7308 Intermediate Similarity NPD3027 Phase 3
0.7299 Intermediate Similarity NPD5710 Approved
0.7299 Intermediate Similarity NPD5711 Approved
0.729 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3267 Approved
0.7273 Intermediate Similarity NPD7700 Phase 2
0.7273 Intermediate Similarity NPD3266 Approved
0.7273 Intermediate Similarity NPD7699 Phase 2
0.7268 Intermediate Similarity NPD7801 Approved
0.7262 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD2309 Approved
0.7256 Intermediate Similarity NPD2354 Approved
0.7256 Intermediate Similarity NPD3887 Approved
0.7253 Intermediate Similarity NPD8150 Discontinued
0.725 Intermediate Similarity NPD4978 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD7930 Approved
0.7241 Intermediate Similarity NPD1247 Approved
0.7229 Intermediate Similarity NPD4662 Approved
0.7229 Intermediate Similarity NPD4661 Approved
0.7226 Intermediate Similarity NPD1019 Discontinued
0.7215 Intermediate Similarity NPD4062 Phase 3
0.719 Intermediate Similarity NPD1608 Approved
0.7181 Intermediate Similarity NPD9493 Approved
0.7178 Intermediate Similarity NPD2424 Discontinued
0.7169 Intermediate Similarity NPD7390 Discontinued
0.7152 Intermediate Similarity NPD1296 Phase 2

Structure

External Identifiers

PubChem CID   11431848
ChEMBL   CHEMBL520776
ZINC  

Physicochemical Properties

Molecular Weight:  492.16
ALogP:  -2.9671
MLogP:  2.89
XLogP:  1.271
# Rotatable Bonds:  17
Polar Surface Area:  172.21
# H-Bond Aceptor:  7
# H-Bond Donor:  5
# Rings:  3
# Heavy Atoms:  35

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs