Natural Product: NPC257714

Natural Product ID:  NPC257714
Common Name:   Caviunin 7-O-[Beta-D-Apiofuranosyl-(1->6)-Beta-D-Glucopyranoside]
IUPAC Name:   7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-6-methoxy-3-(2,4,5-trimethoxyphenyl)chromen-4-one
Synonyms:  
Molecular Formula:   C30H36O17
Standard InCHIKey:  WIOFFAMWIKGCQE-GYXGAVCMSA-N
Standard InCHI:  InChI=1S/C30H36O17/c1-39-14-6-16(41-3)15(40-2)5-12(14)13-8-43-17-7-18(26(42-4)23(34)20(17)21(13)32)46-28-25(36)24(35)22(33)19(47-28)9-44-29-27(37)30(38,10-31)11-45-29/h5-8,19,22,24-25,27-29,31,33-38H,9-11H2,1-4H3/t19-,22-,24+,25-,27+,28-,29-,30-/m1/s1
Canonical SMILES:  OC[C@@]1(O)CO[C@H]([C@@H]1O)OC[C@H]1O[C@@H](Oc2cc3occ(c(=O)c3c(c2OC)O)c2cc(OC)c(cc2OC)OC)[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
NPO1830 Dalbergia sissoo Species Fabaceae Eukaryota Leaves PMID[22212722]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified FC = 15 19374389

  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 NPC257714 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
0.9634 High Similarity NPC224462
0.9576 High Similarity NPC205076
0.9576 High Similarity NPC307518
0.9576 High Similarity NPC48773
0.9576 High Similarity NPC235575
0.9573 High Similarity NPC183036
0.9515 High Similarity NPC105511
0.9515 High Similarity NPC212748
0.9515 High Similarity NPC474434
0.9461 High Similarity NPC472607
0.9461 High Similarity NPC142996
0.9458 High Similarity NPC261254
0.9455 High Similarity NPC186807
0.9455 High Similarity NPC105025
0.9455 High Similarity NPC469931
0.9455 High Similarity NPC93337
0.9455 High Similarity NPC210042
0.9455 High Similarity NPC45638
0.9455 High Similarity NPC95855
0.9455 High Similarity NPC201292
0.9455 High Similarity NPC226294
0.9455 High Similarity NPC58053
0.9455 High Similarity NPC475942
0.9412 High Similarity NPC473072
0.9401 High Similarity NPC204693
0.9398 High Similarity NPC21190
0.9398 High Similarity NPC44558
0.9398 High Similarity NPC471416
0.9398 High Similarity NPC22195
0.9398 High Similarity NPC34287
0.9398 High Similarity NPC183357
0.9394 High Similarity NPC229729
0.9394 High Similarity NPC93099
0.9394 High Similarity NPC58716
0.9394 High Similarity NPC45618
0.9394 High Similarity NPC135345
0.9394 High Similarity NPC146792
0.9353 High Similarity NPC473071
0.9353 High Similarity NPC473073
0.9349 High Similarity NPC241196
0.9345 High Similarity NPC84482
0.9345 High Similarity NPC169645
0.9345 High Similarity NPC102028
0.9341 High Similarity NPC156977
0.9341 High Similarity NPC475155
0.9341 High Similarity NPC211594
0.9341 High Similarity NPC476405
0.9341 High Similarity NPC259152
0.9341 High Similarity NPC117260
0.9341 High Similarity NPC172807
0.9341 High Similarity NPC3583
0.9341 High Similarity NPC254540
0.9337 High Similarity NPC472383
0.9337 High Similarity NPC472381
0.9337 High Similarity NPC170675
0.9337 High Similarity NPC112755
0.9337 High Similarity NPC471457
0.9337 High Similarity NPC229687
0.9333 High Similarity NPC99957
0.9333 High Similarity NPC181616
0.9329 High Similarity NPC284960
0.9329 High Similarity NPC94777
0.9329 High Similarity NPC222936
0.9298 High Similarity NPC199172
0.9298 High Similarity NPC35924
0.9294 High Similarity NPC110941
0.9294 High Similarity NPC126784
0.9294 High Similarity NPC473571
0.9294 High Similarity NPC470443
0.9294 High Similarity NPC473682
0.9294 High Similarity NPC470444
0.9294 High Similarity NPC241423
0.929 High Similarity NPC169733
0.9286 High Similarity NPC236191
0.9286 High Similarity NPC169977
0.9286 High Similarity NPC45522
0.9286 High Similarity NPC21666
0.9286 High Similarity NPC42773
0.9286 High Similarity NPC51774
0.9286 High Similarity NPC24043
0.9286 High Similarity NPC101026
0.9286 High Similarity NPC239549
0.9281 High Similarity NPC245014
0.9281 High Similarity NPC231194
0.9281 High Similarity NPC51326
0.9281 High Similarity NPC282987
0.9281 High Similarity NPC84265
0.9281 High Similarity NPC194483
0.9281 High Similarity NPC52353
0.9277 High Similarity NPC45400
0.9273 High Similarity NPC311830
0.9273 High Similarity NPC22832
0.9273 High Similarity NPC165720
0.9268 High Similarity NPC473043
0.9244 High Similarity NPC148710
0.9235 High Similarity NPC475261
0.9235 High Similarity NPC168584
0.9231 High Similarity NPC477848
0.9226 High Similarity NPC245452
0.9226 High Similarity NPC301683
0.9226 High Similarity NPC472386
0.9226 High Similarity NPC267254
0.9222 High Similarity NPC476771
0.9222 High Similarity NPC195257
0.9222 High Similarity NPC86008
0.9222 High Similarity NPC209296
0.9217 High Similarity NPC236934
0.9217 High Similarity NPC5778
0.9212 High Similarity NPC88023
0.9212 High Similarity NPC243930
0.9212 High Similarity NPC88043
0.9212 High Similarity NPC191306
0.9212 High Similarity NPC19709
0.9212 High Similarity NPC270335
0.9212 High Similarity NPC168822
0.9212 High Similarity NPC470178
0.9212 High Similarity NPC309025
0.9186 High Similarity NPC470445
0.9186 High Similarity NPC470449
0.9186 High Similarity NPC470446
0.9186 High Similarity NPC470447
0.9186 High Similarity NPC473883
0.9181 High Similarity NPC473895
0.9176 High Similarity NPC472991
0.9176 High Similarity NPC472992
0.9176 High Similarity NPC8573
0.9176 High Similarity NPC255799
0.9176 High Similarity NPC211532
0.9176 High Similarity NPC198324
0.9176 High Similarity NPC472385
0.9176 High Similarity NPC470949
0.9176 High Similarity NPC65563
0.9176 High Similarity NPC233994
0.9172 High Similarity NPC208668
0.9172 High Similarity NPC25724
0.9167 High Similarity NPC44328
0.9167 High Similarity NPC206123
0.9167 High Similarity NPC79056
0.9167 High Similarity NPC293004
0.9167 High Similarity NPC72249
0.9167 High Similarity NPC177731
0.9167 High Similarity NPC105095
0.9162 High Similarity NPC265530
0.9162 High Similarity NPC116745
0.9162 High Similarity NPC325555
0.9162 High Similarity NPC42892
0.9162 High Similarity NPC477502
0.9162 High Similarity NPC226304
0.9157 High Similarity NPC475738
0.9157 High Similarity NPC15358
0.9152 High Similarity NPC189142
0.9152 High Similarity NPC77660
0.9152 High Similarity NPC127782
0.9152 High Similarity NPC300537
0.9146 High Similarity NPC110349
0.9133 High Similarity NPC470455
0.9133 High Similarity NPC470451
0.9128 High Similarity NPC469371
0.9123 High Similarity NPC67302
0.9123 High Similarity NPC472387
0.9123 High Similarity NPC476618
0.9123 High Similarity NPC476619
0.9123 High Similarity NPC476622
0.9123 High Similarity NPC476623
0.9123 High Similarity NPC476621
0.9123 High Similarity NPC476620
0.9118 High Similarity NPC294815
0.9118 High Similarity NPC43211
0.9118 High Similarity NPC473327
0.9118 High Similarity NPC49344
0.9118 High Similarity NPC101191
0.9118 High Similarity NPC198199
0.9118 High Similarity NPC210094
0.9118 High Similarity NPC16194
0.9118 High Similarity NPC19108
0.9118 High Similarity NPC264735
0.9118 High Similarity NPC237435
0.9118 High Similarity NPC115760
0.9118 High Similarity NPC220173
0.9118 High Similarity NPC476472
0.9118 High Similarity NPC135277
0.9112 High Similarity NPC476772
0.9112 High Similarity NPC475825
0.9112 High Similarity NPC256760
0.9112 High Similarity NPC180918
0.9112 High Similarity NPC223375
0.9107 High Similarity NPC225434
0.9107 High Similarity NPC227508
0.9107 High Similarity NPC219904
0.9107 High Similarity NPC61791
0.9107 High Similarity NPC203050
0.9107 High Similarity NPC471287
0.9107 High Similarity NPC223747
0.9107 High Similarity NPC293629
0.9107 High Similarity NPC105283
0.9107 High Similarity NPC43587
0.9107 High Similarity NPC120099
0.9102 High Similarity NPC21100
0.9102 High Similarity NPC115674
0.9102 High Similarity NPC113093

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC257714 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
0.9394 High Similarity NPD3818 Discontinued
0.9281 High Similarity NPD7472 Approved
0.9222 High Similarity NPD7054 Approved
0.9167 High Similarity NPD7074 Phase 3
0.9118 High Similarity NPD4338 Clinical (unspecified phase)
0.9059 High Similarity NPD7251 Discontinued
0.9006 High Similarity NPD7808 Phase 3
0.9 High Similarity NPD6797 Phase 2
0.8909 High Similarity NPD4381 Clinical (unspecified phase)
0.8727 High Similarity NPD2801 Approved
0.8667 High Similarity NPD1934 Approved
0.8596 High Similarity NPD6168 Clinical (unspecified phase)
0.8596 High Similarity NPD6166 Phase 2
0.8596 High Similarity NPD6167 Clinical (unspecified phase)
0.8555 High Similarity NPD7804 Clinical (unspecified phase)
0.8512 High Similarity NPD3882 Suspended
0.8512 High Similarity NPD4868 Clinical (unspecified phase)
0.8503 High Similarity NPD2393 Clinical (unspecified phase)
0.8471 Intermediate Similarity NPD5494 Approved
0.8409 Intermediate Similarity NPD6559 Discontinued
0.8323 Intermediate Similarity NPD4380 Phase 2
0.8249 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8235 Intermediate Similarity NPD3817 Phase 2
0.8182 Intermediate Similarity NPD1511 Approved
0.814 Intermediate Similarity NPD7075 Discontinued
0.8129 Intermediate Similarity NPD5402 Approved
0.8101 Intermediate Similarity NPD7685 Pre-registration
0.8098 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.8095 Intermediate Similarity NPD1653 Approved
0.8084 Intermediate Similarity NPD1512 Approved
0.8079 Intermediate Similarity NPD7228 Approved
0.807 Intermediate Similarity NPD1465 Phase 2
0.8034 Intermediate Similarity NPD5844 Phase 1
0.8022 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD6801 Discontinued
0.7965 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7929 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7886 Intermediate Similarity NPD6234 Discontinued
0.7879 Intermediate Similarity NPD1549 Phase 2
0.7861 Intermediate Similarity NPD7819 Suspended
0.7821 Intermediate Similarity NPD7473 Discontinued
0.7818 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7818 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7816 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7814 Intermediate Similarity NPD8312 Approved
0.7814 Intermediate Similarity NPD8313 Approved
0.7811 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7811 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7803 Intermediate Similarity NPD37 Approved
0.7797 Intermediate Similarity NPD6959 Discontinued
0.7797 Intermediate Similarity NPD1247 Approved
0.7797 Intermediate Similarity NPD7199 Phase 2
0.7778 Intermediate Similarity NPD3751 Discontinued
0.7771 Intermediate Similarity NPD4966 Approved
0.7771 Intermediate Similarity NPD4967 Phase 2
0.7771 Intermediate Similarity NPD4965 Approved
0.7758 Intermediate Similarity NPD2796 Approved
0.7753 Intermediate Similarity NPD6232 Discontinued
0.7746 Intermediate Similarity NPD7411 Suspended
0.7719 Intermediate Similarity NPD5403 Approved
0.7708 Intermediate Similarity NPD6782 Approved
0.7708 Intermediate Similarity NPD6778 Approved
0.7708 Intermediate Similarity NPD6777 Approved
0.7708 Intermediate Similarity NPD6781 Approved
0.7708 Intermediate Similarity NPD6776 Approved
0.7708 Intermediate Similarity NPD6779 Approved
0.7708 Intermediate Similarity NPD6780 Approved
0.7705 Intermediate Similarity NPD7240 Approved
0.7697 Intermediate Similarity NPD1510 Phase 2
0.768 Intermediate Similarity NPD7435 Discontinued
0.7665 Intermediate Similarity NPD8151 Discontinued
0.7654 Intermediate Similarity NPD3787 Discontinued
0.7653 Intermediate Similarity NPD7584 Approved
0.7647 Intermediate Similarity NPD6799 Approved
0.7627 Intermediate Similarity NPD3749 Approved
0.7611 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD3926 Phase 2
0.7602 Intermediate Similarity NPD5401 Approved
0.759 Intermediate Similarity NPD7697 Approved
0.759 Intermediate Similarity NPD7698 Approved
0.759 Intermediate Similarity NPD7696 Phase 3
0.7584 Intermediate Similarity NPD919 Approved
0.7551 Intermediate Similarity NPD7871 Phase 2
0.7551 Intermediate Similarity NPD7870 Phase 2
0.7544 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD6823 Phase 2
0.7525 Intermediate Similarity NPD7701 Phase 2
0.75 Intermediate Similarity NPD7266 Discontinued
0.75 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7783 Phase 2
0.75 Intermediate Similarity NPD8434 Phase 2
0.7486 Intermediate Similarity NPD6599 Discontinued
0.7473 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD1613 Approved
0.7455 Intermediate Similarity NPD943 Approved
0.7455 Intermediate Similarity NPD1240 Approved
0.7455 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD7874 Approved
0.745 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD6534 Approved
0.7448 Intermediate Similarity NPD6535 Approved
0.7427 Intermediate Similarity NPD6190 Approved
0.7423 Intermediate Similarity NPD7699 Phase 2
0.7423 Intermediate Similarity NPD7700 Phase 2
0.7414 Intermediate Similarity NPD920 Approved
0.7413 Intermediate Similarity NPD7801 Approved
0.7412 Intermediate Similarity NPD2800 Approved
0.741 Intermediate Similarity NPD230 Phase 1
0.7399 Intermediate Similarity NPD2532 Approved
0.7399 Intermediate Similarity NPD2533 Approved
0.7399 Intermediate Similarity NPD2534 Approved
0.7374 Intermediate Similarity NPD7768 Phase 2
0.7368 Intermediate Similarity NPD3750 Approved
0.7365 Intermediate Similarity NPD1607 Approved
0.736 Intermediate Similarity NPD8455 Phase 2
0.7353 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD2935 Discontinued
0.7305 Intermediate Similarity NPD1933 Approved
0.7296 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3027 Phase 3
0.7267 Intermediate Similarity NPD4628 Phase 3
0.7264 Intermediate Similarity NPD7585 Approved
0.7259 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD8150 Discontinued
0.7214 Intermediate Similarity NPD7583 Approved
0.7212 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7209 Intermediate Similarity NPD1243 Approved
0.7207 Intermediate Similarity NPD6844 Discontinued
0.7202 Intermediate Similarity NPD447 Suspended
0.72 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7166 Intermediate Similarity NPD7286 Phase 2
0.715 Intermediate Similarity NPD7680 Approved
0.7135 Intermediate Similarity NPD1551 Phase 2
0.7135 Intermediate Similarity NPD6099 Approved
0.7135 Intermediate Similarity NPD6100 Approved
0.7128 Intermediate Similarity NPD6213 Phase 3
0.7128 Intermediate Similarity NPD6212 Phase 3
0.7128 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7126 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD8319 Approved
0.7114 Intermediate Similarity NPD8320 Phase 1
0.711 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.711 Intermediate Similarity NPD6674 Discontinued
0.7105 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD8155 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD2344 Approved
0.709 Intermediate Similarity NPD5953 Discontinued
0.7086 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD7033 Discontinued
0.7076 Intermediate Similarity NPD3748 Approved
0.7069 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD6651 Approved
0.7039 Intermediate Similarity NPD3226 Approved
0.7039 Intermediate Similarity NPD7458 Discontinued
0.7033 Intermediate Similarity NPD5353 Approved
0.7031 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD8058 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD8059 Phase 3
0.7006 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.6989 Remote Similarity NPD5711 Approved
0.6989 Remote Similarity NPD5710 Approved
0.6977 Remote Similarity NPD651 Clinical (unspecified phase)
0.6971 Remote Similarity NPD7930 Approved
0.6948 Remote Similarity NPD5619 Clinical (unspecified phase)
0.6946 Remote Similarity NPD9494 Approved
0.6935 Remote Similarity NPD8127 Discontinued
0.6934 Remote Similarity NPD7907 Approved
0.6932 Remote Similarity NPD2309 Approved
0.6931 Remote Similarity NPD5005 Approved
0.6931 Remote Similarity NPD5006 Approved
0.6927 Remote Similarity NPD7549 Discontinued
0.6923 Remote Similarity NPD2313 Discontinued
0.6923 Remote Similarity NPD6841 Approved
0.6923 Remote Similarity NPD6843 Phase 3
0.6923 Remote Similarity NPD6842 Approved
0.6919 Remote Similarity NPD4360 Phase 2
0.6919 Remote Similarity NPD4363 Phase 3
0.6915 Remote Similarity NPD2403 Approved
0.6912 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6905 Remote Similarity NPD6832 Phase 2
0.6897 Remote Similarity NPD2346 Discontinued
0.6886 Remote Similarity NPD2798 Approved
0.6879 Remote Similarity NPD1509 Clinical (unspecified phase)
0.6879 Remote Similarity NPD2799 Discontinued
0.6862 Remote Similarity NPD5242 Approved
0.6854 Remote Similarity NPD7390 Discontinued
0.684 Remote Similarity NPD4111 Phase 1
0.684 Remote Similarity NPD4665 Approved
0.6825 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6816 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6816 Remote Similarity NPD4420 Approved
0.6809 Remote Similarity NPD7229 Phase 3
0.6807 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6805 Remote Similarity NPD4908 Phase 1
0.6802 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6802 Remote Similarity NPD4287 Approved

Structure

External Identifiers

PubChem CID   57399533
ChEMBL   CHEMBL1945737
ZINC  

Physicochemical Properties

Molecular Weight:  668.20
ALogP:  -4.9501
MLogP:  2.89
XLogP:  -1.746
# Rotatable Bonds:  22
Polar Surface Area:  241.75
# H-Bond Aceptor:  10
# H-Bond Donor:  7
# Rings:  5
# Heavy Atoms:  47

Download Data

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