Natural Product: NPC12308

Natural Product ID:  NPC12308
Common Name:   Orcinol Glucoside
IUPAC Name:   (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
Synonyms:  
Molecular Formula:   C13H18O7
Standard InCHIKey:  YTXIGTCAQNODGD-UJPOAAIJSA-N
Standard InCHI:  InChI=1S/C13H18O7/c1-6-2-7(15)4-8(3-6)19-13-12(18)11(17)10(16)9(5-14)20-13/h2-4,9-18H,5H2,1H3/t9-,10-,11+,12-,13-/m1/s1
Canonical SMILES:  OC[C@H]1O[C@@H](Oc2cc(C)cc(c2)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
NPO29491 Pachycereus weberi Species Cactaceae Eukaryota UNPD*
NPO29310 Hippomarathrum cristatum NA NA NA UNPD*
NPO8381 Curculiginis rhizome NA NA NA TCMSP*
NPO19963 Curculigo orchioides Species Hypoxidaceae Eukaryota TM-MC*
NPO4874 Molineria capitulata Species Hypoxidaceae Eukaryota TCMID*
NPO19963 Curculigo orchioides Species Hypoxidaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 77.5 % 10.1007/s00044-013-0834-7
NPT2 Others Unspecified Activity = 1.2 ug/ml 10.1007/s00044-013-0834-7
NPT2 Others Unspecified Activity = 70.2 % 10.1007/s00044-013-0834-7
NPT1 Others Radical scavenging activity IC50 = 900 ug/ml 10.1007/s00044-013-0834-7
NPT1 Others Radical scavenging activity Activity = 69.3 % 10.1007/s00044-013-0834-7

  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 NPC12308 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
0.9593 High Similarity NPC262606
0.9512 High Similarity NPC218003
0.9365 High Similarity NPC294166
0.9365 High Similarity NPC115022
0.936 High Similarity NPC121376
0.9286 High Similarity NPC85799
0.9286 High Similarity NPC165686
0.9286 High Similarity NPC26080
0.9286 High Similarity NPC299144
0.9286 High Similarity NPC303422
0.9219 High Similarity NPC238243
0.9219 High Similarity NPC185778
0.9213 High Similarity NPC49074
0.9147 High Similarity NPC165482
0.9147 High Similarity NPC40664
0.9147 High Similarity NPC3293
0.9147 High Similarity NPC197723
0.9147 High Similarity NPC138350
0.9141 High Similarity NPC188555
0.9141 High Similarity NPC251981
0.9141 High Similarity NPC130496
0.9141 High Similarity NPC13745
0.9141 High Similarity NPC48863
0.9134 High Similarity NPC470270
0.9134 High Similarity NPC162093
0.912 High Similarity NPC40377
0.9077 High Similarity NPC134260
0.9077 High Similarity NPC124149
0.9062 High Similarity NPC69513
0.9062 High Similarity NPC132895
0.9062 High Similarity NPC215833
0.9055 High Similarity NPC475067
0.9048 High Similarity NPC97326
0.9016 High Similarity NPC226712
0.9008 High Similarity NPC98777
0.9008 High Similarity NPC212770
0.9 High Similarity NPC203230
0.9 High Similarity NPC242028
0.9 High Similarity NPC104167
0.9 High Similarity NPC164857
0.8992 High Similarity NPC107478
0.8934 High Similarity NPC269242
0.8931 High Similarity NPC59324
0.8931 High Similarity NPC65530
0.8923 High Similarity NPC470236
0.8906 High Similarity NPC166168
0.8898 High Similarity NPC166040
0.8898 High Similarity NPC248355
0.8872 High Similarity NPC89686
0.8872 High Similarity NPC210192
0.8872 High Similarity NPC273932
0.8872 High Similarity NPC257095
0.8852 High Similarity NPC60589
0.8852 High Similarity NPC469708
0.8819 High Similarity NPC302378
0.8806 High Similarity NPC469559
0.8806 High Similarity NPC475084
0.8806 High Similarity NPC189115
0.8788 High Similarity NPC195196
0.878 High Similarity NPC469412
0.878 High Similarity NPC198734
0.875 High Similarity NPC26653
0.875 High Similarity NPC307110
0.875 High Similarity NPC270849
0.8741 High Similarity NPC473044
0.8731 High Similarity NPC469661
0.8712 High Similarity NPC25695
0.8712 High Similarity NPC172818
0.8702 High Similarity NPC87696
0.8682 High Similarity NPC472024
0.8682 High Similarity NPC80600
0.8682 High Similarity NPC474491
0.8676 High Similarity NPC473045
0.8676 High Similarity NPC25292
0.8657 High Similarity NPC210478
0.8647 High Similarity NPC87777
0.8647 High Similarity NPC262328
0.864 High Similarity NPC152722
0.8626 High Similarity NPC25821
0.8615 High Similarity NPC248307
0.8615 High Similarity NPC65942
0.8613 High Similarity NPC277867
0.8613 High Similarity NPC161700
0.8613 High Similarity NPC475096
0.8603 High Similarity NPC252169
0.8603 High Similarity NPC37793
0.8583 High Similarity NPC470510
0.8571 High Similarity NPC475628
0.8571 High Similarity NPC192810
0.8551 High Similarity NPC190714
0.8551 High Similarity NPC125755
0.8551 High Similarity NPC99515
0.855 High Similarity NPC252833
0.854 High Similarity NPC76176
0.854 High Similarity NPC469313
0.854 High Similarity NPC138227
0.854 High Similarity NPC168579
0.8529 High Similarity NPC5262
0.8529 High Similarity NPC472714
0.8525 High Similarity NPC175771
0.8516 High Similarity NPC473960
0.8512 High Similarity NPC142319
0.8512 High Similarity NPC313193
0.8507 High Similarity NPC138738
0.8507 High Similarity NPC470413
0.8504 High Similarity NPC287429
0.8504 High Similarity NPC221090
0.8492 Intermediate Similarity NPC476142
0.8489 Intermediate Similarity NPC15538
0.8489 Intermediate Similarity NPC39657
0.8489 Intermediate Similarity NPC473480
0.8489 Intermediate Similarity NPC227902
0.8485 Intermediate Similarity NPC6836
0.848 Intermediate Similarity NPC276195
0.8473 Intermediate Similarity NPC9912
0.8473 Intermediate Similarity NPC472597
0.8473 Intermediate Similarity NPC469698
0.8473 Intermediate Similarity NPC473412
0.8462 Intermediate Similarity NPC474494
0.8462 Intermediate Similarity NPC273295
0.8462 Intermediate Similarity NPC218856
0.8462 Intermediate Similarity NPC226788
0.8462 Intermediate Similarity NPC25729
0.8462 Intermediate Similarity NPC202582
0.8462 Intermediate Similarity NPC285339
0.8462 Intermediate Similarity NPC190629
0.8462 Intermediate Similarity NPC222004
0.8462 Intermediate Similarity NPC3439
0.8462 Intermediate Similarity NPC470258
0.8462 Intermediate Similarity NPC210623
0.845 Intermediate Similarity NPC198798
0.8444 Intermediate Similarity NPC100389
0.8433 Intermediate Similarity NPC186418
0.8433 Intermediate Similarity NPC37468
0.8429 Intermediate Similarity NPC130449
0.8429 Intermediate Similarity NPC478237
0.8429 Intermediate Similarity NPC248132
0.8429 Intermediate Similarity NPC175976
0.8425 Intermediate Similarity NPC220598
0.8425 Intermediate Similarity NPC165375
0.8421 Intermediate Similarity NPC35731
0.8421 Intermediate Similarity NPC187194
0.8421 Intermediate Similarity NPC470881
0.8421 Intermediate Similarity NPC170694
0.8417 Intermediate Similarity NPC255068
0.8409 Intermediate Similarity NPC16208
0.8409 Intermediate Similarity NPC7903
0.8409 Intermediate Similarity NPC35932
0.8409 Intermediate Similarity NPC160991
0.8409 Intermediate Similarity NPC184447
0.8406 Intermediate Similarity NPC187774
0.8406 Intermediate Similarity NPC297342
0.8406 Intermediate Similarity NPC472712
0.8406 Intermediate Similarity NPC472713
0.8406 Intermediate Similarity NPC473046
0.8406 Intermediate Similarity NPC118385
0.8397 Intermediate Similarity NPC472338
0.8397 Intermediate Similarity NPC469612
0.8397 Intermediate Similarity NPC469614
0.8394 Intermediate Similarity NPC472353
0.8394 Intermediate Similarity NPC230718
0.8394 Intermediate Similarity NPC84207
0.8394 Intermediate Similarity NPC128337
0.8394 Intermediate Similarity NPC49542
0.8394 Intermediate Similarity NPC5253
0.8394 Intermediate Similarity NPC139976
0.8385 Intermediate Similarity NPC146540
0.8372 Intermediate Similarity NPC171533
0.8372 Intermediate Similarity NPC189589
0.8372 Intermediate Similarity NPC298845
0.8372 Intermediate Similarity NPC469622
0.837 Intermediate Similarity NPC474039
0.8369 Intermediate Similarity NPC286235
0.8369 Intermediate Similarity NPC55158
0.8369 Intermediate Similarity NPC51328
0.8369 Intermediate Similarity NPC106138
0.8358 Intermediate Similarity NPC234333
0.8358 Intermediate Similarity NPC260898
0.8358 Intermediate Similarity NPC47398
0.8358 Intermediate Similarity NPC61946
0.8358 Intermediate Similarity NPC55040
0.8357 Intermediate Similarity NPC41844
0.8346 Intermediate Similarity NPC120638
0.8346 Intermediate Similarity NPC215037
0.8333 Intermediate Similarity NPC268342
0.8333 Intermediate Similarity NPC199023
0.8333 Intermediate Similarity NPC268266
0.8333 Intermediate Similarity NPC309787
0.8333 Intermediate Similarity NPC220825
0.8333 Intermediate Similarity NPC469613
0.8333 Intermediate Similarity NPC103799
0.8333 Intermediate Similarity NPC81638
0.8333 Intermediate Similarity NPC469625
0.8333 Intermediate Similarity NPC42760
0.8333 Intermediate Similarity NPC30043
0.8321 Intermediate Similarity NPC108674
0.8321 Intermediate Similarity NPC470633
0.8321 Intermediate Similarity NPC228769
0.8321 Intermediate Similarity NPC295970
0.831 Intermediate Similarity NPC472709

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC12308 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
0.9016 High Similarity NPD1091 Approved
0.8271 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8271 Intermediate Similarity NPD1613 Approved
0.8239 Intermediate Similarity NPD1653 Approved
0.8182 Intermediate Similarity NPD3027 Phase 3
0.803 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.797 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7863 Intermediate Similarity NPD4749 Approved
0.7852 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7787 Intermediate Similarity NPD290 Approved
0.7752 Intermediate Similarity NPD1357 Approved
0.771 Intermediate Similarity NPD1610 Phase 2
0.7704 Intermediate Similarity NPD4908 Phase 1
0.7674 Intermediate Similarity NPD1548 Phase 1
0.7591 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD3705 Approved
0.7566 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD1652 Phase 2
0.7552 Intermediate Similarity NPD6674 Discontinued
0.7535 Intermediate Similarity NPD7266 Discontinued
0.7518 Intermediate Similarity NPD4625 Phase 3
0.7468 Intermediate Similarity NPD7054 Approved
0.7444 Intermediate Similarity NPD422 Phase 1
0.7442 Intermediate Similarity NPD6671 Approved
0.744 Intermediate Similarity NPD2684 Approved
0.7426 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD7074 Phase 3
0.7421 Intermediate Similarity NPD7472 Approved
0.7419 Intermediate Similarity NPD968 Approved
0.7397 Intermediate Similarity NPD5058 Phase 3
0.7375 Intermediate Similarity NPD6797 Phase 2
0.7372 Intermediate Similarity NPD2861 Phase 2
0.7344 Intermediate Similarity NPD7843 Approved
0.7333 Intermediate Similarity NPD2983 Phase 2
0.7333 Intermediate Similarity NPD2982 Phase 2
0.7329 Intermediate Similarity NPD7251 Discontinued
0.7329 Intermediate Similarity NPD6559 Discontinued
0.7308 Intermediate Similarity NPD7157 Approved
0.7303 Intermediate Similarity NPD37 Approved
0.7296 Intermediate Similarity NPD3818 Discontinued
0.7296 Intermediate Similarity NPD7228 Approved
0.729 Intermediate Similarity NPD6234 Discontinued
0.7284 Intermediate Similarity NPD7808 Phase 3
0.7273 Intermediate Similarity NPD4965 Approved
0.7273 Intermediate Similarity NPD4967 Phase 2
0.7273 Intermediate Similarity NPD4966 Approved
0.7266 Intermediate Similarity NPD228 Approved
0.7259 Intermediate Similarity NPD2981 Phase 2
0.7254 Intermediate Similarity NPD6653 Approved
0.725 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD291 Approved
0.7214 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD4536 Approved
0.7203 Intermediate Similarity NPD4538 Approved
0.7203 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD1934 Approved
0.7185 Intermediate Similarity NPD776 Approved
0.7183 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD5124 Phase 1
0.7178 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7164 Intermediate Similarity NPD1778 Approved
0.7161 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD1242 Phase 1
0.7143 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7132 Intermediate Similarity NPD2231 Phase 2
0.7132 Intermediate Similarity NPD2235 Phase 2
0.7122 Intermediate Similarity NPD3018 Phase 2
0.7113 Intermediate Similarity NPD4060 Phase 1
0.7111 Intermediate Similarity NPD3496 Discontinued
0.7109 Intermediate Similarity NPD556 Approved
0.7103 Intermediate Similarity NPD6100 Approved
0.7103 Intermediate Similarity NPD6099 Approved
0.7089 Intermediate Similarity NPD7199 Phase 2
0.7063 Intermediate Similarity NPD230 Phase 1
0.7059 Intermediate Similarity NPD9365 Approved
0.7055 Intermediate Similarity NPD5763 Approved
0.7055 Intermediate Similarity NPD5762 Approved
0.7044 Intermediate Similarity NPD3787 Discontinued
0.7037 Intermediate Similarity NPD5125 Phase 3
0.7037 Intermediate Similarity NPD5126 Approved
0.7034 Intermediate Similarity NPD5960 Phase 3
0.7034 Intermediate Similarity NPD5588 Approved
0.7032 Intermediate Similarity NPD8455 Phase 2
0.7029 Intermediate Similarity NPD8651 Approved
0.7027 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.6987 Remote Similarity NPD5402 Approved
0.6986 Remote Similarity NPD1551 Phase 2
0.698 Remote Similarity NPD2677 Approved
0.6977 Remote Similarity NPD4750 Phase 3
0.6957 Remote Similarity NPD3685 Discontinued
0.6957 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6166 Phase 2
0.6953 Remote Similarity NPD1358 Approved
0.6948 Remote Similarity NPD4380 Phase 2
0.6948 Remote Similarity NPD4675 Approved
0.6948 Remote Similarity NPD4678 Approved
0.6939 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1375 Discontinued
0.6939 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6929 Remote Similarity NPD558 Phase 2
0.6923 Remote Similarity NPD6233 Phase 2
0.6923 Remote Similarity NPD2801 Approved
0.6913 Remote Similarity NPD4628 Phase 3
0.6913 Remote Similarity NPD3892 Phase 2
0.6909 Remote Similarity NPD7240 Approved
0.6906 Remote Similarity NPD6696 Suspended
0.6901 Remote Similarity NPD3180 Approved
0.6901 Remote Similarity NPD3179 Approved
0.6899 Remote Similarity NPD7075 Discontinued
0.6894 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6892 Remote Similarity NPD1549 Phase 2
0.6892 Remote Similarity NPD2424 Discontinued
0.6892 Remote Similarity NPD970 Clinical (unspecified phase)
0.6887 Remote Similarity NPD7212 Phase 2
0.6887 Remote Similarity NPD7213 Phase 3
0.6887 Remote Similarity NPD1511 Approved
0.6887 Remote Similarity NPD1774 Approved
0.6884 Remote Similarity NPD1608 Approved
0.6875 Remote Similarity NPD2238 Phase 2
0.6875 Remote Similarity NPD1558 Phase 1
0.6871 Remote Similarity NPD3751 Discontinued
0.6864 Remote Similarity NPD6842 Approved
0.6864 Remote Similarity NPD6841 Approved
0.6864 Remote Similarity NPD6843 Phase 3
0.6863 Remote Similarity NPD5403 Approved
0.6853 Remote Similarity NPD1048 Approved
0.6849 Remote Similarity NPD7097 Phase 1
0.6849 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6842 Remote Similarity NPD3157 Approved
0.6842 Remote Similarity NPD3158 Phase 1
0.6842 Remote Similarity NPD7447 Phase 1
0.6842 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6838 Remote Similarity NPD5585 Approved
0.6835 Remote Similarity NPD3882 Suspended
0.6828 Remote Similarity NPD5735 Approved
0.6825 Remote Similarity NPD846 Approved
0.6825 Remote Similarity NPD940 Approved
0.6818 Remote Similarity NPD821 Approved
0.6815 Remote Similarity NPD2978 Approved
0.6815 Remote Similarity NPD1408 Clinical (unspecified phase)
0.6815 Remote Similarity NPD2977 Approved
0.6815 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5647 Approved
0.6809 Remote Similarity NPD6584 Phase 3
0.6803 Remote Similarity NPD7033 Discontinued
0.6803 Remote Similarity NPD4108 Discontinued
0.6797 Remote Similarity NPD1512 Approved
0.6792 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6788 Remote Similarity NPD6516 Phase 2
0.6788 Remote Similarity NPD5846 Approved
0.6783 Remote Similarity NPD7095 Approved
0.6776 Remote Similarity NPD6799 Approved
0.6776 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6772 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6772 Remote Similarity NPD3817 Phase 2
0.6767 Remote Similarity NPD5283 Phase 1
0.6767 Remote Similarity NPD1398 Phase 1
0.6759 Remote Similarity NPD3620 Phase 2
0.6759 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6757 Remote Similarity NPD6032 Approved
0.6755 Remote Similarity NPD2219 Phase 1
0.6747 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6742 Remote Similarity NPD969 Suspended
0.6736 Remote Similarity NPD6798 Discontinued
0.6732 Remote Similarity NPD5401 Approved
0.6732 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6727 Remote Similarity NPD5844 Phase 1
0.6726 Remote Similarity NPD8313 Approved
0.6726 Remote Similarity NPD8312 Approved
0.6713 Remote Similarity NPD596 Approved
0.6713 Remote Similarity NPD600 Approved
0.6712 Remote Similarity NPD6355 Discontinued
0.6712 Remote Similarity NPD447 Suspended
0.6712 Remote Similarity NPD4340 Discontinued
0.6711 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6711 Remote Similarity NPD6005 Phase 3
0.6711 Remote Similarity NPD6004 Phase 3
0.6711 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6711 Remote Similarity NPD6002 Phase 3
0.671 Remote Similarity NPD3687 Approved
0.671 Remote Similarity NPD3686 Approved
0.6707 Remote Similarity NPD7685 Pre-registration
0.6692 Remote Similarity NPD9552 Approved
0.669 Remote Similarity NPD839 Approved
0.669 Remote Similarity NPD840 Approved
0.669 Remote Similarity NPD1726 Clinical (unspecified phase)
0.669 Remote Similarity NPD4062 Phase 3
0.6689 Remote Similarity NPD4535 Phase 3
0.6688 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6667 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3225 Approved
0.6667 Remote Similarity NPD709 Approved
0.6667 Remote Similarity NPD17 Approved
0.6667 Remote Similarity NPD4357 Discontinued
0.6667 Remote Similarity NPD191 Approved
0.6646 Remote Similarity NPD6801 Discontinued

Structure

External Identifiers

PubChem CID   12315192
ChEMBL   CHEMBL2425246
ZINC  

Physicochemical Properties

Molecular Weight:  286.11
ALogP:  -2.0255
MLogP:  2.12
XLogP:  0.085
# Rotatable Bonds:  9
Polar Surface Area:  119.61
# H-Bond Aceptor:  5
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  20

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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