Natural Product: NPC472917

Natural Product ID:  NPC472917
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C11H12O5
Standard InCHIKey:  RKLOZIOELXTHBJ-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H12O5/c1-14-8-5-7(13)9-6(12)3-4-16-11(9)10(8)15-2/h5,13H,3-4H2,1-2H3
Canonical SMILES:  COc1c(OC)cc(c2c1OCCC2=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
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 25856683

  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 NPC472917 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
0.9577 High Similarity NPC55557
0.9577 High Similarity NPC30647
0.9577 High Similarity NPC61871
0.9514 High Similarity NPC179183
0.9452 High Similarity NPC472915
0.9448 High Similarity NPC171010
0.9448 High Similarity NPC117579
0.9448 High Similarity NPC149614
0.9388 High Similarity NPC2928
0.9388 High Similarity NPC37392
0.9388 High Similarity NPC472909
0.9384 High Similarity NPC39007
0.9384 High Similarity NPC161277
0.9384 High Similarity NPC199100
0.9384 High Similarity NPC120537
0.9384 High Similarity NPC101996
0.9384 High Similarity NPC180234
0.9379 High Similarity NPC306821
0.9371 High Similarity NPC143903
0.9371 High Similarity NPC226987
0.9324 High Similarity NPC235165
0.9324 High Similarity NPC472916
0.9324 High Similarity NPC255106
0.932 High Similarity NPC271779
0.932 High Similarity NPC167091
0.932 High Similarity NPC280937
0.932 High Similarity NPC88645
0.932 High Similarity NPC206238
0.932 High Similarity NPC292214
0.9315 High Similarity NPC226973
0.9315 High Similarity NPC208043
0.931 High Similarity NPC328119
0.9262 High Similarity NPC162869
0.9262 High Similarity NPC472911
0.9262 High Similarity NPC156057
0.9262 High Similarity NPC475267
0.9262 High Similarity NPC96167
0.9262 High Similarity NPC472914
0.9262 High Similarity NPC472913
0.9262 High Similarity NPC99597
0.9262 High Similarity NPC474208
0.9262 High Similarity NPC222814
0.9262 High Similarity NPC210084
0.9262 High Similarity NPC474836
0.9262 High Similarity NPC472910
0.9262 High Similarity NPC48208
0.9262 High Similarity NPC181960
0.9262 High Similarity NPC245758
0.9262 High Similarity NPC469584
0.9257 High Similarity NPC213622
0.9252 High Similarity NPC71334
0.9252 High Similarity NPC100887
0.9252 High Similarity NPC275836
0.9252 High Similarity NPC301323
0.9252 High Similarity NPC239128
0.9252 High Similarity NPC25270
0.9252 High Similarity NPC83508
0.9252 High Similarity NPC275722
0.9252 High Similarity NPC156222
0.9252 High Similarity NPC212678
0.9252 High Similarity NPC293183
0.9252 High Similarity NPC301123
0.9252 High Similarity NPC57030
0.9252 High Similarity NPC256283
0.9252 High Similarity NPC187498
0.9252 High Similarity NPC162313
0.9252 High Similarity NPC188203
0.9252 High Similarity NPC131624
0.9252 High Similarity NPC241498
0.9252 High Similarity NPC222830
0.9252 High Similarity NPC120163
0.9252 High Similarity NPC198826
0.9252 High Similarity NPC142540
0.9247 High Similarity NPC248102
0.9247 High Similarity NPC61620
0.9247 High Similarity NPC338131
0.9247 High Similarity NPC62042
0.92 High Similarity NPC152904
0.9195 High Similarity NPC317383
0.9189 High Similarity NPC47781
0.9189 High Similarity NPC250822
0.9189 High Similarity NPC75279
0.9189 High Similarity NPC160951
0.9189 High Similarity NPC231018
0.9189 High Similarity NPC86485
0.9189 High Similarity NPC255350
0.9189 High Similarity NPC69394
0.9189 High Similarity NPC176775
0.9189 High Similarity NPC276409
0.9189 High Similarity NPC22519
0.9189 High Similarity NPC274327
0.9189 High Similarity NPC183878
0.9189 High Similarity NPC145379
0.9184 High Similarity NPC308451
0.9184 High Similarity NPC204515
0.9184 High Similarity NPC251110
0.9184 High Similarity NPC31363
0.9178 High Similarity NPC216318
0.9178 High Similarity NPC296197
0.9178 High Similarity NPC17286
0.9178 High Similarity NPC259713
0.9172 High Similarity NPC62536
0.9172 High Similarity NPC207729
0.9172 High Similarity NPC251188
0.9172 High Similarity NPC46941
0.9172 High Similarity NPC119660
0.9172 High Similarity NPC93034
0.9172 High Similarity NPC33265
0.9172 High Similarity NPC12200
0.9139 High Similarity NPC474287
0.9139 High Similarity NPC263449
0.9139 High Similarity NPC475886
0.9137 High Similarity NPC143649
0.9133 High Similarity NPC223787
0.9133 High Similarity NPC165977
0.9133 High Similarity NPC241904
0.9133 High Similarity NPC262286
0.9133 High Similarity NPC300727
0.9133 High Similarity NPC78225
0.9133 High Similarity NPC217677
0.9133 High Similarity NPC470402
0.9133 High Similarity NPC36852
0.9128 High Similarity NPC26227
0.9128 High Similarity NPC196439
0.9128 High Similarity NPC163780
0.9128 High Similarity NPC255807
0.9128 High Similarity NPC146165
0.9128 High Similarity NPC92659
0.9128 High Similarity NPC128863
0.9128 High Similarity NPC208197
0.9128 High Similarity NPC227325
0.9128 High Similarity NPC280339
0.9128 High Similarity NPC256612
0.9128 High Similarity NPC189960
0.9128 High Similarity NPC201136
0.9128 High Similarity NPC50715
0.9128 High Similarity NPC2476
0.9128 High Similarity NPC44079
0.9128 High Similarity NPC167815
0.9128 High Similarity NPC32557
0.9128 High Similarity NPC4455
0.9128 High Similarity NPC201451
0.9128 High Similarity NPC138360
0.9128 High Similarity NPC18954
0.9128 High Similarity NPC31018
0.9128 High Similarity NPC20830
0.9128 High Similarity NPC183597
0.9122 High Similarity NPC257648
0.9122 High Similarity NPC477231
0.9122 High Similarity NPC302950
0.9122 High Similarity NPC236637
0.9122 High Similarity NPC219582
0.9116 High Similarity NPC239363
0.9116 High Similarity NPC156953
0.9116 High Similarity NPC184136
0.9116 High Similarity NPC29231
0.9116 High Similarity NPC45873
0.911 High Similarity NPC195202
0.911 High Similarity NPC287395
0.911 High Similarity NPC276930
0.911 High Similarity NPC194856
0.911 High Similarity NPC183655
0.911 High Similarity NPC120464
0.9103 High Similarity NPC231013
0.9085 High Similarity NPC50823
0.9079 High Similarity NPC308992
0.9079 High Similarity NPC266314
0.9079 High Similarity NPC474351
0.9079 High Similarity NPC475883
0.9079 High Similarity NPC474187
0.9079 High Similarity NPC474186
0.9073 High Similarity NPC476242
0.9073 High Similarity NPC250214
0.9073 High Similarity NPC95936
0.9067 High Similarity NPC303255
0.9067 High Similarity NPC474520
0.9067 High Similarity NPC68093
0.9067 High Similarity NPC266960
0.9067 High Similarity NPC245546
0.9067 High Similarity NPC274730
0.9067 High Similarity NPC43243
0.9067 High Similarity NPC247017
0.9067 High Similarity NPC45131
0.9067 High Similarity NPC49824
0.9067 High Similarity NPC98661
0.9067 High Similarity NPC268161
0.9067 High Similarity NPC201837
0.9067 High Similarity NPC191146
0.9067 High Similarity NPC178854
0.9067 High Similarity NPC138243
0.906 High Similarity NPC18727
0.906 High Similarity NPC246204
0.9054 High Similarity NPC19980
0.9054 High Similarity NPC475076
0.9054 High Similarity NPC202157
0.9054 High Similarity NPC262623
0.9054 High Similarity NPC45291
0.9054 High Similarity NPC225731
0.9048 High Similarity NPC294502
0.9048 High Similarity NPC177298

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC472917 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
0.9189 High Similarity NPD2801 Approved
0.9122 High Similarity NPD1934 Approved
0.8836 High Similarity NPD1511 Approved
0.8816 High Similarity NPD3882 Suspended
0.8808 High Similarity NPD2393 Clinical (unspecified phase)
0.8716 High Similarity NPD1512 Approved
0.8552 High Similarity NPD1550 Clinical (unspecified phase)
0.8552 High Similarity NPD1552 Clinical (unspecified phase)
0.8544 High Similarity NPD6166 Phase 2
0.8544 High Similarity NPD6168 Clinical (unspecified phase)
0.8544 High Similarity NPD6167 Clinical (unspecified phase)
0.8526 High Similarity NPD5494 Approved
0.8506 High Similarity NPD3817 Phase 2
0.8493 Intermediate Similarity NPD1549 Phase 2
0.8405 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8385 Intermediate Similarity NPD7054 Approved
0.8367 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD1247 Approved
0.8333 Intermediate Similarity NPD7472 Approved
0.8333 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD7074 Phase 3
0.8323 Intermediate Similarity NPD3818 Discontinued
0.8288 Intermediate Similarity NPD1510 Phase 2
0.8278 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8264 Intermediate Similarity NPD1240 Approved
0.8207 Intermediate Similarity NPD447 Suspended
0.8207 Intermediate Similarity NPD230 Phase 1
0.8205 Intermediate Similarity NPD1465 Phase 2
0.8188 Intermediate Similarity NPD2800 Approved
0.8182 Intermediate Similarity NPD7808 Phase 3
0.8171 Intermediate Similarity NPD6797 Phase 2
0.8151 Intermediate Similarity NPD1607 Approved
0.8129 Intermediate Similarity NPD4380 Phase 2
0.8121 Intermediate Similarity NPD7251 Discontinued
0.8092 Intermediate Similarity NPD6799 Approved
0.8075 Intermediate Similarity NPD6232 Discontinued
0.805 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.805 Intermediate Similarity NPD7075 Discontinued
0.8049 Intermediate Similarity NPD5844 Phase 1
0.8037 Intermediate Similarity NPD7473 Discontinued
0.8014 Intermediate Similarity NPD943 Approved
0.8012 Intermediate Similarity NPD6959 Discontinued
0.8 Intermediate Similarity NPD919 Approved
0.7987 Intermediate Similarity NPD2796 Approved
0.7975 Intermediate Similarity NPD7819 Suspended
0.7975 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7925 Intermediate Similarity NPD5402 Approved
0.7922 Intermediate Similarity NPD2533 Approved
0.7922 Intermediate Similarity NPD2532 Approved
0.7922 Intermediate Similarity NPD2534 Approved
0.7867 Intermediate Similarity NPD1551 Phase 2
0.7848 Intermediate Similarity NPD7411 Suspended
0.7844 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD920 Approved
0.7806 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD3926 Phase 2
0.78 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7799 Intermediate Similarity NPD6801 Discontinued
0.7793 Intermediate Similarity NPD9494 Approved
0.7793 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD6599 Discontinued
0.7778 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD1613 Approved
0.7748 Intermediate Similarity NPD2935 Discontinued
0.774 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7725 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD6651 Approved
0.7658 Intermediate Similarity NPD1653 Approved
0.7635 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD3749 Approved
0.7597 Intermediate Similarity NPD1243 Approved
0.7588 Intermediate Similarity NPD6559 Discontinued
0.758 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD3750 Approved
0.7545 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6100 Approved
0.7516 Intermediate Similarity NPD6099 Approved
0.7485 Intermediate Similarity NPD5353 Approved
0.7484 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD5403 Approved
0.7483 Intermediate Similarity NPD1933 Approved
0.7468 Intermediate Similarity NPD5401 Approved
0.7468 Intermediate Similarity NPD2344 Approved
0.7456 Intermediate Similarity NPD3751 Discontinued
0.7452 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD3027 Phase 3
0.7448 Intermediate Similarity NPD9717 Approved
0.7448 Intermediate Similarity NPD9269 Phase 2
0.7439 Intermediate Similarity NPD7768 Phase 2
0.7425 Intermediate Similarity NPD5711 Approved
0.7425 Intermediate Similarity NPD5710 Approved
0.7415 Intermediate Similarity NPD1203 Approved
0.7413 Intermediate Similarity NPD9268 Approved
0.7412 Intermediate Similarity NPD7286 Phase 2
0.7403 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD422 Phase 1
0.7372 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD2403 Approved
0.7326 Intermediate Similarity NPD5953 Discontinued
0.7325 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7325 Intermediate Similarity NPD4628 Phase 3
0.7321 Intermediate Similarity NPD3787 Discontinued
0.7296 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7288 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD411 Approved
0.7284 Intermediate Similarity NPD3226 Approved
0.7278 Intermediate Similarity NPD2309 Approved
0.7262 Intermediate Similarity NPD7199 Phase 2
0.7261 Intermediate Similarity NPD2654 Approved
0.726 Intermediate Similarity NPD1610 Phase 2
0.726 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD37 Approved
0.7255 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD6234 Discontinued
0.7244 Intermediate Similarity NPD2346 Discontinued
0.7229 Intermediate Similarity NPD4965 Approved
0.7229 Intermediate Similarity NPD4966 Approved
0.7229 Intermediate Similarity NPD4967 Phase 2
0.7226 Intermediate Similarity NPD2799 Discontinued
0.7226 Intermediate Similarity NPD3748 Approved
0.7222 Intermediate Similarity NPD9545 Approved
0.7222 Intermediate Similarity NPD1548 Phase 1
0.7207 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD5242 Approved
0.7171 Intermediate Similarity NPD2313 Discontinued
0.717 Intermediate Similarity NPD6190 Approved
0.7162 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6844 Discontinued
0.7152 Intermediate Similarity NPD6832 Phase 2
0.7152 Intermediate Similarity NPD4908 Phase 1
0.7143 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD1019 Discontinued
0.7119 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD1241 Discontinued
0.7095 Intermediate Similarity NPD1608 Approved
0.7091 Intermediate Similarity NPD6385 Approved
0.7091 Intermediate Similarity NPD6386 Approved
0.7083 Intermediate Similarity NPD9493 Approved
0.7081 Intermediate Similarity NPD7390 Discontinued
0.7059 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7052 Intermediate Similarity NPD7228 Approved
0.7047 Intermediate Similarity NPD4749 Approved
0.7044 Intermediate Similarity NPD1652 Phase 2
0.6989 Remote Similarity NPD6104 Discontinued
0.6989 Remote Similarity NPD7685 Pre-registration
0.6981 Remote Similarity NPD2424 Discontinued
0.698 Remote Similarity NPD1481 Phase 2
0.6975 Remote Similarity NPD4357 Discontinued
0.6974 Remote Similarity NPD2861 Phase 2
0.6974 Remote Similarity NPD3018 Phase 2
0.6972 Remote Similarity NPD228 Approved
0.6971 Remote Similarity NPD1729 Discontinued
0.6959 Remote Similarity NPD3496 Discontinued
0.6948 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6948 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6948 Remote Similarity NPD1296 Phase 2
0.694 Remote Similarity NPD4360 Phase 2
0.694 Remote Similarity NPD4363 Phase 3
0.6935 Remote Similarity NPD6776 Approved
0.6935 Remote Similarity NPD6781 Approved
0.6935 Remote Similarity NPD6782 Approved
0.6935 Remote Similarity NPD6780 Approved
0.6935 Remote Similarity NPD6777 Approved
0.6935 Remote Similarity NPD6779 Approved
0.6935 Remote Similarity NPD6778 Approved
0.6933 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6918 Remote Similarity NPD5536 Phase 2
0.6913 Remote Similarity NPD1535 Discovery
0.691 Remote Similarity NPD8313 Approved
0.691 Remote Similarity NPD8312 Approved
0.6903 Remote Similarity NPD6233 Phase 2
0.6899 Remote Similarity NPD7033 Discontinued
0.6897 Remote Similarity NPD6671 Approved
0.6892 Remote Similarity NPD17 Approved
0.6892 Remote Similarity NPD1778 Approved
0.689 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6889 Remote Similarity NPD8434 Phase 2
0.6886 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6854 Remote Similarity NPD7549 Discontinued
0.6849 Remote Similarity NPD405 Clinical (unspecified phase)
0.6842 Remote Similarity NPD1470 Approved
0.6839 Remote Similarity NPD3268 Approved
0.6829 Remote Similarity NPD3146 Approved
0.6829 Remote Similarity NPD3688 Clinical (unspecified phase)
0.6829 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6825 Remote Similarity NPD7435 Discontinued
0.6825 Remote Similarity NPD7698 Approved
0.6825 Remote Similarity NPD7697 Approved
0.6825 Remote Similarity NPD7696 Phase 3
0.6823 Remote Similarity NPD8151 Discontinued
0.6821 Remote Similarity NPD2982 Phase 2
0.6821 Remote Similarity NPD7229 Phase 3
0.6821 Remote Similarity NPD2983 Phase 2
0.6815 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6815 Remote Similarity NPD5124 Phase 1
0.6813 Remote Similarity NPD1471 Phase 3

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3594095
ZINC  

Physicochemical Properties

Molecular Weight:  224.07
ALogP:  -0.9354
MLogP:  2.12
XLogP:  -0.377
# Rotatable Bonds:  5
Polar Surface Area:  64.99
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  16

Download Data

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