Natural Product: NPC472918

Natural Product ID:  NPC472918
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H16O6
Standard InCHIKey:  MYJSUEBYZUYQNB-KRWDZBQOSA-N
Standard InCHI:  InChI=1S/C17H16O6/c1-22-12-6-13(19)15-14(7-12)23-9-17(21,16(15)20)8-10-2-4-11(18)5-3-10/h2-7,18-19,21H,8-9H2,1H3/t17-/m0/s1
Canonical SMILES:  COc1cc(O)c2c(c1)OC[C@@](C2=O)(O)Cc1ccc(cc1)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
NPO33045 bellevalia eigii Species Hyacinthaceae Eukaryota Bulbs Irbid, Jordan PMID[26147490]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT400 Cell Line MDA-MB-435 Homo sapiens IC50 > 20000 nM 10.6019/CHEMBL1201861
NPT139 Cell Line HT-29 Homo sapiens IC50 > 20000 nM 20585136

  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 NPC472918 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
0.9787 High Similarity NPC229190
0.9722 High Similarity NPC471229
0.972 High Similarity NPC277032
0.9718 High Similarity NPC40086
0.9718 High Similarity NPC44721
0.9718 High Similarity NPC3779
0.9718 High Similarity NPC176869
0.9718 High Similarity NPC122828
0.9718 High Similarity NPC476182
0.9718 High Similarity NPC211466
0.9655 High Similarity NPC210597
0.9653 High Similarity NPC267117
0.9589 High Similarity NPC209760
0.9589 High Similarity NPC100134
0.9586 High Similarity NPC262039
0.9586 High Similarity NPC262038
0.9586 High Similarity NPC278476
0.9586 High Similarity NPC254412
0.9586 High Similarity NPC319910
0.9577 High Similarity NPC208176
0.9577 High Similarity NPC279417
0.9577 High Similarity NPC326506
0.9577 High Similarity NPC142731
0.9577 High Similarity NPC62290
0.9577 High Similarity NPC4152
0.9577 High Similarity NPC306607
0.9577 High Similarity NPC49130
0.9524 High Similarity NPC304207
0.9524 High Similarity NPC476169
0.9524 High Similarity NPC48579
0.9524 High Similarity NPC471116
0.9524 High Similarity NPC217706
0.9524 High Similarity NPC207809
0.9524 High Similarity NPC259710
0.9521 High Similarity NPC35567
0.9521 High Similarity NPC217149
0.9521 High Similarity NPC216035
0.9521 High Similarity NPC243171
0.9521 High Similarity NPC138288
0.9521 High Similarity NPC171651
0.9517 High Similarity NPC105136
0.951 High Similarity NPC148011
0.951 High Similarity NPC1940
0.9459 High Similarity NPC10754
0.9459 High Similarity NPC215917
0.9459 High Similarity NPC20530
0.9456 High Similarity NPC203080
0.9456 High Similarity NPC180301
0.9456 High Similarity NPC236756
0.9456 High Similarity NPC311579
0.9456 High Similarity NPC248793
0.9456 High Similarity NPC293286
0.9452 High Similarity NPC471676
0.9452 High Similarity NPC472422
0.9452 High Similarity NPC295650
0.9452 High Similarity NPC472636
0.9452 High Similarity NPC472420
0.9452 High Similarity NPC471677
0.9452 High Similarity NPC244577
0.9452 High Similarity NPC263384
0.9448 High Similarity NPC472628
0.9448 High Similarity NPC477941
0.9444 High Similarity NPC472627
0.9433 High Similarity NPC188243
0.9433 High Similarity NPC6407
0.9433 High Similarity NPC76445
0.9433 High Similarity NPC129853
0.9433 High Similarity NPC284550
0.9433 High Similarity NPC110228
0.9396 High Similarity NPC67876
0.9392 High Similarity NPC304745
0.9392 High Similarity NPC111341
0.9388 High Similarity NPC473996
0.9388 High Similarity NPC475790
0.9379 High Similarity NPC296869
0.9379 High Similarity NPC218569
0.9375 High Similarity NPC124729
0.9371 High Similarity NPC478086
0.9371 High Similarity NPC214166
0.9371 High Similarity NPC316816
0.9366 High Similarity NPC262094
0.9366 High Similarity NPC90582
0.9362 High Similarity NPC241838
0.9362 High Similarity NPC310135
0.9362 High Similarity NPC222342
0.9362 High Similarity NPC329203
0.9362 High Similarity NPC150648
0.9362 High Similarity NPC225153
0.9362 High Similarity NPC152042
0.9362 High Similarity NPC143799
0.9362 High Similarity NPC274784
0.9362 High Similarity NPC20709
0.9362 High Similarity NPC265871
0.9362 High Similarity NPC140890
0.9333 High Similarity NPC152904
0.9329 High Similarity NPC146636
0.9329 High Similarity NPC471500
0.9324 High Similarity NPC7989
0.9324 High Similarity NPC472583
0.9324 High Similarity NPC268193
0.9324 High Similarity NPC141212
0.9324 High Similarity NPC223701
0.9324 High Similarity NPC244250
0.9324 High Similarity NPC20907
0.932 High Similarity NPC472580
0.932 High Similarity NPC474023
0.932 High Similarity NPC474021
0.932 High Similarity NPC471675
0.931 High Similarity NPC21835
0.9306 High Similarity NPC131568
0.9306 High Similarity NPC216538
0.9306 High Similarity NPC311144
0.9306 High Similarity NPC273538
0.9306 High Similarity NPC131579
0.9306 High Similarity NPC209040
0.9301 High Similarity NPC78
0.9301 High Similarity NPC66515
0.9301 High Similarity NPC166482
0.9301 High Similarity NPC32739
0.9301 High Similarity NPC324436
0.9301 High Similarity NPC177354
0.9301 High Similarity NPC328164
0.9301 High Similarity NPC306829
0.9301 High Similarity NPC125855
0.9301 High Similarity NPC194432
0.9301 High Similarity NPC296917
0.9301 High Similarity NPC166934
0.9301 High Similarity NPC148757
0.9301 High Similarity NPC10937
0.9301 High Similarity NPC324134
0.9301 High Similarity NPC228504
0.9301 High Similarity NPC265040
0.9301 High Similarity NPC220998
0.9301 High Similarity NPC182852
0.9301 High Similarity NPC40833
0.9301 High Similarity NPC167624
0.9301 High Similarity NPC107572
0.9301 High Similarity NPC227579
0.9301 High Similarity NPC37496
0.9301 High Similarity NPC64915
0.9301 High Similarity NPC76338
0.9301 High Similarity NPC223500
0.9301 High Similarity NPC76372
0.9301 High Similarity NPC1089
0.9301 High Similarity NPC161506
0.9301 High Similarity NPC200694
0.9296 High Similarity NPC184536
0.9296 High Similarity NPC103342
0.9296 High Similarity NPC103904
0.9296 High Similarity NPC59951
0.9296 High Similarity NPC281207
0.9296 High Similarity NPC269652
0.9296 High Similarity NPC146679
0.9296 High Similarity NPC230285
0.9291 High Similarity NPC99333
0.9291 High Similarity NPC276905
0.9291 High Similarity NPC280284
0.9291 High Similarity NPC124269
0.9291 High Similarity NPC118813
0.9291 High Similarity NPC188947
0.9272 High Similarity NPC470183
0.9267 High Similarity NPC471479
0.9267 High Similarity NPC6985
0.9267 High Similarity NPC471515
0.9262 High Similarity NPC477958
0.9257 High Similarity NPC477957
0.9257 High Similarity NPC31627
0.9257 High Similarity NPC10807
0.9257 High Similarity NPC150123
0.9257 High Similarity NPC244583
0.9257 High Similarity NPC327269
0.9257 High Similarity NPC476238
0.9257 High Similarity NPC161881
0.9257 High Similarity NPC56232
0.9252 High Similarity NPC472421
0.9252 High Similarity NPC61258
0.9247 High Similarity NPC244407
0.9241 High Similarity NPC246948
0.9241 High Similarity NPC472629
0.9241 High Similarity NPC301276
0.9241 High Similarity NPC470458
0.9241 High Similarity NPC475052
0.9241 High Similarity NPC306488
0.9241 High Similarity NPC5820
0.9241 High Similarity NPC214774
0.9241 High Similarity NPC267375
0.9241 High Similarity NPC312973
0.9241 High Similarity NPC20488
0.9241 High Similarity NPC127059
0.9241 High Similarity NPC285630
0.9241 High Similarity NPC176229
0.9241 High Similarity NPC142405
0.9241 High Similarity NPC299011
0.9241 High Similarity NPC54577
0.9241 High Similarity NPC67805
0.9241 High Similarity NPC88964
0.9241 High Similarity NPC470647
0.9241 High Similarity NPC83357
0.9241 High Similarity NPC178343
0.9241 High Similarity NPC111786

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472918 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
0.9306 High Similarity NPD4378 Clinical (unspecified phase)
0.922 High Similarity NPD1550 Clinical (unspecified phase)
0.922 High Similarity NPD1552 Clinical (unspecified phase)
0.9155 High Similarity NPD1549 Phase 2
0.9139 High Similarity NPD7075 Discontinued
0.9128 High Similarity NPD1934 Approved
0.9103 High Similarity NPD6799 Approved
0.9067 High Similarity NPD7096 Clinical (unspecified phase)
0.9067 High Similarity NPD2393 Clinical (unspecified phase)
0.8993 High Similarity NPD4380 Phase 2
0.891 High Similarity NPD6167 Clinical (unspecified phase)
0.891 High Similarity NPD6168 Clinical (unspecified phase)
0.891 High Similarity NPD6166 Phase 2
0.8889 High Similarity NPD4381 Clinical (unspecified phase)
0.8874 High Similarity NPD6801 Discontinued
0.8867 High Similarity NPD6599 Discontinued
0.8851 High Similarity NPD1512 Approved
0.8824 High Similarity NPD3882 Suspended
0.8816 High Similarity NPD2801 Approved
0.8811 High Similarity NPD1510 Phase 2
0.8794 High Similarity NPD1240 Approved
0.8784 High Similarity NPD7410 Clinical (unspecified phase)
0.8758 High Similarity NPD3817 Phase 2
0.875 High Similarity NPD2796 Approved
0.8742 High Similarity NPD7804 Clinical (unspecified phase)
0.8716 High Similarity NPD1511 Approved
0.8684 High Similarity NPD7411 Suspended
0.8671 High Similarity NPD1607 Approved
0.8636 High Similarity NPD8443 Clinical (unspecified phase)
0.8543 High Similarity NPD5403 Approved
0.8519 High Similarity NPD6797 Phase 2
0.8466 Intermediate Similarity NPD7251 Discontinued
0.8457 Intermediate Similarity NPD7074 Phase 3
0.8452 Intermediate Similarity NPD7819 Suspended
0.8415 Intermediate Similarity NPD7808 Phase 3
0.8411 Intermediate Similarity NPD5401 Approved
0.8395 Intermediate Similarity NPD7054 Approved
0.8344 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8344 Intermediate Similarity NPD7472 Approved
0.8333 Intermediate Similarity NPD3818 Discontinued
0.8303 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.828 Intermediate Similarity NPD5402 Approved
0.8264 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.825 Intermediate Similarity NPD6959 Discontinued
0.821 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.8187 Intermediate Similarity NPD5494 Approved
0.8176 Intermediate Similarity NPD3749 Approved
0.8146 Intermediate Similarity NPD3750 Approved
0.8133 Intermediate Similarity NPD6559 Discontinued
0.8121 Intermediate Similarity NPD1551 Phase 2
0.8113 Intermediate Similarity NPD7768 Phase 2
0.8079 Intermediate Similarity NPD2800 Approved
0.8072 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8026 Intermediate Similarity NPD4628 Phase 3
0.8013 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD6232 Discontinued
0.7939 Intermediate Similarity NPD7473 Discontinued
0.7919 Intermediate Similarity NPD6651 Approved
0.7891 Intermediate Similarity NPD6798 Discontinued
0.7887 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD2935 Discontinued
0.7881 Intermediate Similarity NPD6100 Approved
0.7881 Intermediate Similarity NPD6099 Approved
0.7877 Intermediate Similarity NPD4908 Phase 1
0.7844 Intermediate Similarity NPD5844 Phase 1
0.7844 Intermediate Similarity NPD7286 Phase 2
0.7834 Intermediate Similarity NPD920 Approved
0.7829 Intermediate Similarity NPD2344 Approved
0.7821 Intermediate Similarity NPD2533 Approved
0.7821 Intermediate Similarity NPD2532 Approved
0.7821 Intermediate Similarity NPD2534 Approved
0.7818 Intermediate Similarity NPD3926 Phase 2
0.7815 Intermediate Similarity NPD7033 Discontinued
0.7815 Intermediate Similarity NPD3748 Approved
0.7805 Intermediate Similarity NPD1247 Approved
0.7793 Intermediate Similarity NPD1203 Approved
0.7792 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD919 Approved
0.7785 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD943 Approved
0.7785 Intermediate Similarity NPD1613 Approved
0.7784 Intermediate Similarity NPD3751 Discontinued
0.777 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7765 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7764 Intermediate Similarity NPD1465 Phase 2
0.7762 Intermediate Similarity NPD1610 Phase 2
0.7758 Intermediate Similarity NPD3787 Discontinued
0.7755 Intermediate Similarity NPD6832 Phase 2
0.7755 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7751 Intermediate Similarity NPD5953 Discontinued
0.774 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.773 Intermediate Similarity NPD1548 Phase 1
0.7727 Intermediate Similarity NPD1243 Approved
0.7718 Intermediate Similarity NPD6233 Phase 2
0.7714 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD2799 Discontinued
0.7692 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD2313 Discontinued
0.7651 Intermediate Similarity NPD3268 Approved
0.7628 Intermediate Similarity NPD2354 Approved
0.7628 Intermediate Similarity NPD2309 Approved
0.7616 Intermediate Similarity NPD1933 Approved
0.7616 Intermediate Similarity NPD6355 Discontinued
0.7586 Intermediate Similarity NPD9717 Approved
0.7564 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.756 Intermediate Similarity NPD2403 Approved
0.7551 Intermediate Similarity NPD2797 Approved
0.7531 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD4360 Phase 2
0.7528 Intermediate Similarity NPD4363 Phase 3
0.7517 Intermediate Similarity NPD422 Phase 1
0.7516 Intermediate Similarity NPD3887 Approved
0.7516 Intermediate Similarity NPD3226 Approved
0.75 Intermediate Similarity NPD2798 Approved
0.75 Intermediate Similarity NPD5124 Phase 1
0.75 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2654 Approved
0.75 Intermediate Similarity NPD230 Phase 1
0.75 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1652 Phase 2
0.7486 Intermediate Similarity NPD8434 Phase 2
0.7484 Intermediate Similarity NPD2346 Discontinued
0.7468 Intermediate Similarity NPD4308 Phase 3
0.7468 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD3027 Phase 3
0.7459 Intermediate Similarity NPD7584 Approved
0.7456 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD5049 Phase 3
0.7436 Intermediate Similarity NPD2424 Discontinued
0.7421 Intermediate Similarity NPD7390 Discontinued
0.7418 Intermediate Similarity NPD6782 Approved
0.7418 Intermediate Similarity NPD6776 Approved
0.7418 Intermediate Similarity NPD6778 Approved
0.7418 Intermediate Similarity NPD6777 Approved
0.7418 Intermediate Similarity NPD6780 Approved
0.7418 Intermediate Similarity NPD6779 Approved
0.7418 Intermediate Similarity NPD6781 Approved
0.7405 Intermediate Similarity NPD6190 Approved
0.7386 Intermediate Similarity NPD447 Suspended
0.7386 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7199 Phase 2
0.7375 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD4662 Approved
0.7375 Intermediate Similarity NPD4661 Approved
0.7372 Intermediate Similarity NPD2353 Approved
0.7372 Intermediate Similarity NPD2355 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD4062 Phase 3
0.7365 Intermediate Similarity NPD3225 Approved
0.7361 Intermediate Similarity NPD9545 Approved
0.7351 Intermediate Similarity NPD4625 Phase 3
0.7347 Intermediate Similarity NPD3972 Approved
0.7337 Intermediate Similarity NPD5710 Approved
0.7337 Intermediate Similarity NPD5711 Approved
0.733 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7322 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.732 Intermediate Similarity NPD4060 Phase 1
0.7315 Intermediate Similarity NPD3266 Approved
0.7315 Intermediate Similarity NPD3267 Approved
0.7314 Intermediate Similarity NPD8312 Approved
0.7314 Intermediate Similarity NPD8313 Approved
0.7312 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7301 Intermediate Similarity NPD7458 Discontinued
0.7299 Intermediate Similarity NPD6104 Discontinued
0.7297 Intermediate Similarity NPD7435 Discontinued
0.7297 Intermediate Similarity NPD4749 Approved
0.7293 Intermediate Similarity NPD4361 Phase 2
0.7293 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD8150 Discontinued
0.7283 Intermediate Similarity NPD1729 Discontinued
0.7273 Intermediate Similarity NPD4340 Discontinued
0.7267 Intermediate Similarity NPD1019 Discontinued
0.7254 Intermediate Similarity NPD1241 Discontinued
0.7241 Intermediate Similarity NPD3823 Discontinued
0.7237 Intermediate Similarity NPD7095 Approved
0.723 Intermediate Similarity NPD1608 Approved
0.7229 Intermediate Similarity NPD8455 Phase 2
0.7222 Intermediate Similarity NPD9493 Approved
0.7219 Intermediate Similarity NPD2861 Phase 2
0.7208 Intermediate Similarity NPD4307 Phase 2
0.7207 Intermediate Similarity NPD4287 Approved
0.7204 Intermediate Similarity NPD7697 Approved
0.7204 Intermediate Similarity NPD7696 Phase 3
0.7204 Intermediate Similarity NPD7698 Approved
0.719 Intermediate Similarity NPD3764 Approved
0.719 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD1296 Phase 2
0.7186 Intermediate Similarity NPD4288 Approved
0.7169 Intermediate Similarity NPD6844 Discontinued
0.7169 Intermediate Similarity NPD7577 Discontinued
0.7166 Intermediate Similarity NPD7871 Phase 2
0.7166 Intermediate Similarity NPD7870 Phase 2
0.7162 Intermediate Similarity NPD1091 Approved
0.716 Intermediate Similarity NPD6234 Discontinued
0.7152 Intermediate Similarity NPD1471 Phase 3
0.7151 Intermediate Similarity NPD4575 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3594096
ZINC  

Physicochemical Properties

Molecular Weight:  316.09
ALogP:  -1.8027
MLogP:  2.67
XLogP:  1.089
# Rotatable Bonds:  7
Polar Surface Area:  96.22
# H-Bond Aceptor:  2
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  23

Download Data

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