Natural Product: NPC107625

Natural Product ID:  NPC107625
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C19H24O6
Standard InCHIKey:  CIKHROSWJUFMED-LIXBPZJASA-N
Standard InCHI:  InChI=1S/C19H24O6/c1-11-5-3-6-12(20)7-4-8-16-18(25-16)14-9-13(23-2)10-15(21)17(14)19(22)24-11/h9-11,16,18,21H,3-8H2,1-2H3/t11-,16+,18+/m0/s1
Canonical SMILES:  COc1cc2[C@H]3O[C@@H]3CCCC(=O)CCC[C@@H](OC(=O)c2c(c1)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
NPO14176 Hypomyces subiculosus Species Hypocreaceae Eukaryota PMID[17067161]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens IC50 > 100000 nM 16570918
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 100000 nM 21282406

  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 NPC107625 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
0.9784 High Similarity NPC472006
0.9643 High Similarity NPC51106
0.964 High Similarity NPC67650
0.964 High Similarity NPC1704
0.9583 High Similarity NPC469670
0.9583 High Similarity NPC469619
0.9456 High Similarity NPC99381
0.9441 High Similarity NPC472033
0.9433 High Similarity NPC474385
0.9424 High Similarity NPC191835
0.9375 High Similarity NPC472036
0.9371 High Similarity NPC472034
0.9371 High Similarity NPC83272
0.9366 High Similarity NPC469542
0.9362 High Similarity NPC475730
0.9362 High Similarity NPC90411
0.9353 High Similarity NPC70380
0.9353 High Similarity NPC135837
0.9301 High Similarity NPC210425
0.9301 High Similarity NPC210966
0.9301 High Similarity NPC126882
0.9301 High Similarity NPC478203
0.9301 High Similarity NPC277426
0.9301 High Similarity NPC280404
0.9301 High Similarity NPC86373
0.9296 High Similarity NPC469579
0.9286 High Similarity NPC212693
0.9286 High Similarity NPC33144
0.9286 High Similarity NPC94248
0.9286 High Similarity NPC478200
0.9252 High Similarity NPC70016
0.9252 High Similarity NPC215921
0.9252 High Similarity NPC200773
0.9252 High Similarity NPC240768
0.9241 High Similarity NPC210320
0.9236 High Similarity NPC257558
0.9225 High Similarity NPC478217
0.9225 High Similarity NPC313123
0.9209 High Similarity NPC180905
0.9209 High Similarity NPC182496
0.9195 High Similarity NPC79998
0.9184 High Similarity NPC56204
0.9178 High Similarity NPC215711
0.9178 High Similarity NPC153417
0.9178 High Similarity NPC471642
0.9178 High Similarity NPC172329
0.9178 High Similarity NPC73411
0.9178 High Similarity NPC2569
0.9178 High Similarity NPC471641
0.9178 High Similarity NPC240622
0.9178 High Similarity NPC240253
0.9161 High Similarity NPC250755
0.9149 High Similarity NPC472602
0.9116 High Similarity NPC4423
0.9116 High Similarity NPC270160
0.9116 High Similarity NPC237440
0.9116 High Similarity NPC77325
0.911 High Similarity NPC8817
0.9103 High Similarity NPC75694
0.9103 High Similarity NPC312789
0.9103 High Similarity NPC134621
0.9097 High Similarity NPC354984
0.9097 High Similarity NPC478202
0.9091 High Similarity NPC244923
0.9091 High Similarity NPC478201
0.9091 High Similarity NPC472035
0.9091 High Similarity NPC472603
0.9091 High Similarity NPC53649
0.9091 High Similarity NPC158634
0.9085 High Similarity NPC32360
0.9085 High Similarity NPC139634
0.9085 High Similarity NPC105456
0.9085 High Similarity NPC268052
0.9078 High Similarity NPC149372
0.9078 High Similarity NPC474849
0.9078 High Similarity NPC71256
0.9078 High Similarity NPC65837
0.9078 High Similarity NPC178467
0.9078 High Similarity NPC474771
0.9067 High Similarity NPC16082
0.9067 High Similarity NPC82592
0.9065 High Similarity NPC153783
0.9054 High Similarity NPC179178
0.9041 High Similarity NPC470357
0.9041 High Similarity NPC237208
0.9034 High Similarity NPC66404
0.9034 High Similarity NPC470932
0.9034 High Similarity NPC184702
0.9034 High Similarity NPC95123
0.9028 High Similarity NPC96692
0.9028 High Similarity NPC49108
0.9028 High Similarity NPC297985
0.9021 High Similarity NPC165172
0.9021 High Similarity NPC472601
0.9021 High Similarity NPC472600
0.9021 High Similarity NPC158472
0.9014 High Similarity NPC475974
0.9013 High Similarity NPC470339
0.9007 High Similarity NPC150227
0.9007 High Similarity NPC472050
0.9007 High Similarity NPC235115
0.9 High Similarity NPC281477
0.8986 High Similarity NPC476684
0.898 High Similarity NPC137296
0.898 High Similarity NPC14098
0.8973 High Similarity NPC473692
0.8973 High Similarity NPC29577
0.8966 High Similarity NPC471639
0.8966 High Similarity NPC159721
0.8966 High Similarity NPC471643
0.8958 High Similarity NPC472605
0.8958 High Similarity NPC472604
0.8954 High Similarity NPC472055
0.8951 High Similarity NPC470399
0.8951 High Similarity NPC275356
0.8947 High Similarity NPC190020
0.8947 High Similarity NPC77679
0.8947 High Similarity NPC84935
0.8944 High Similarity NPC194579
0.894 High Similarity NPC199926
0.8933 High Similarity NPC273483
0.8933 High Similarity NPC167903
0.8933 High Similarity NPC474843
0.8926 High Similarity NPC60413
0.8926 High Similarity NPC119929
0.8926 High Similarity NPC96501
0.8926 High Similarity NPC295036
0.8926 High Similarity NPC470107
0.8921 High Similarity NPC219892
0.8921 High Similarity NPC189823
0.8912 High Similarity NPC260946
0.8912 High Similarity NPC225173
0.8912 High Similarity NPC163846
0.8904 High Similarity NPC42540
0.8904 High Similarity NPC151607
0.8897 High Similarity NPC471640
0.8897 High Similarity NPC471644
0.8897 High Similarity NPC105648
0.8881 High Similarity NPC177307
0.8881 High Similarity NPC9121
0.8881 High Similarity NPC472403
0.8873 High Similarity NPC84699
0.8865 High Similarity NPC175943
0.8859 High Similarity NPC291049
0.8859 High Similarity NPC233267
0.8859 High Similarity NPC6923
0.8859 High Similarity NPC198927
0.8851 High Similarity NPC125801
0.8836 High Similarity NPC310340
0.8836 High Similarity NPC471731
0.8836 High Similarity NPC472610
0.8836 High Similarity NPC73028
0.8828 High Similarity NPC220106
0.8828 High Similarity NPC16455
0.8828 High Similarity NPC307990
0.8824 High Similarity NPC246466
0.8824 High Similarity NPC473395
0.8824 High Similarity NPC263483
0.8819 High Similarity NPC52358
0.8819 High Similarity NPC88269
0.8819 High Similarity NPC92655
0.8819 High Similarity NPC474655
0.8811 High Similarity NPC470397
0.8811 High Similarity NPC470398
0.8808 High Similarity NPC470340
0.8808 High Similarity NPC271681
0.8808 High Similarity NPC470338
0.8808 High Similarity NPC470337
0.8808 High Similarity NPC268992
0.8808 High Similarity NPC51824
0.8808 High Similarity NPC175978
0.8808 High Similarity NPC113608
0.8803 High Similarity NPC144027
0.8803 High Similarity NPC236974
0.8803 High Similarity NPC27407
0.88 High Similarity NPC475460
0.88 High Similarity NPC158866
0.88 High Similarity NPC470568
0.8794 High Similarity NPC203817
0.8792 High Similarity NPC37139
0.8792 High Similarity NPC105415
0.8784 High Similarity NPC473023
0.8784 High Similarity NPC24136
0.8784 High Similarity NPC267509
0.8784 High Similarity NPC187282
0.8784 High Similarity NPC290133
0.8776 High Similarity NPC27106
0.8774 High Similarity NPC117985
0.8774 High Similarity NPC201560
0.8767 High Similarity NPC471733
0.8759 High Similarity NPC155205
0.8758 High Similarity NPC227062
0.8758 High Similarity NPC146211
0.875 High Similarity NPC478231
0.875 High Similarity NPC472799
0.875 High Similarity NPC155686
0.875 High Similarity NPC192189
0.8742 High Similarity NPC46882
0.8742 High Similarity NPC72958
0.8742 High Similarity NPC106372

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC107625 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
0.9103 High Similarity NPD2534 Approved
0.9103 High Similarity NPD2533 Approved
0.9103 High Similarity NPD2532 Approved
0.9085 High Similarity NPD970 Clinical (unspecified phase)
0.8627 High Similarity NPD7819 Suspended
0.8387 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8367 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8367 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8365 Intermediate Similarity NPD6232 Discontinued
0.8356 Intermediate Similarity NPD1510 Phase 2
0.8344 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8333 Intermediate Similarity NPD1240 Approved
0.8323 Intermediate Similarity NPD7473 Discontinued
0.8323 Intermediate Similarity NPD1934 Approved
0.8311 Intermediate Similarity NPD1549 Phase 2
0.8302 Intermediate Similarity NPD6959 Discontinued
0.825 Intermediate Similarity NPD5710 Approved
0.825 Intermediate Similarity NPD5711 Approved
0.8228 Intermediate Similarity NPD7075 Discontinued
0.8219 Intermediate Similarity NPD1607 Approved
0.82 Intermediate Similarity NPD3750 Approved
0.82 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8194 Intermediate Similarity NPD4380 Phase 2
0.8176 Intermediate Similarity NPD2796 Approved
0.8176 Intermediate Similarity NPD2935 Discontinued
0.8165 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8158 Intermediate Similarity NPD6799 Approved
0.8153 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8153 Intermediate Similarity NPD2801 Approved
0.8151 Intermediate Similarity NPD230 Phase 1
0.8141 Intermediate Similarity NPD7411 Suspended
0.8133 Intermediate Similarity NPD2800 Approved
0.8113 Intermediate Similarity NPD3749 Approved
0.8101 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.8101 Intermediate Similarity NPD3817 Phase 2
0.8077 Intermediate Similarity NPD6599 Discontinued
0.805 Intermediate Similarity NPD3882 Suspended
0.8039 Intermediate Similarity NPD1511 Approved
0.8 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7975 Intermediate Similarity NPD6801 Discontinued
0.7945 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7939 Intermediate Similarity NPD3818 Discontinued
0.7937 Intermediate Similarity NPD7768 Phase 2
0.7935 Intermediate Similarity NPD1512 Approved
0.7933 Intermediate Similarity NPD1551 Phase 2
0.7927 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD6166 Phase 2
0.7927 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7927 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7898 Intermediate Similarity NPD3226 Approved
0.7892 Intermediate Similarity NPD5844 Phase 1
0.7885 Intermediate Similarity NPD920 Approved
0.7875 Intermediate Similarity NPD5402 Approved
0.7871 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7867 Intermediate Similarity NPD3748 Approved
0.7852 Intermediate Similarity NPD6651 Approved
0.7844 Intermediate Similarity NPD7074 Phase 3
0.7812 Intermediate Similarity NPD1465 Phase 2
0.7811 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD5494 Approved
0.7784 Intermediate Similarity NPD7054 Approved
0.7778 Intermediate Similarity NPD1243 Approved
0.7778 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7763 Intermediate Similarity NPD2346 Discontinued
0.7756 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7748 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7748 Intermediate Similarity NPD2799 Discontinued
0.7738 Intermediate Similarity NPD7472 Approved
0.7727 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7727 Intermediate Similarity NPD4628 Phase 3
0.7697 Intermediate Similarity NPD6099 Approved
0.7697 Intermediate Similarity NPD6100 Approved
0.7692 Intermediate Similarity NPD6797 Phase 2
0.7692 Intermediate Similarity NPD5953 Discontinued
0.7692 Intermediate Similarity NPD7390 Discontinued
0.7692 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7286 Phase 2
0.7667 Intermediate Similarity NPD447 Suspended
0.766 Intermediate Similarity NPD9545 Approved
0.7658 Intermediate Similarity NPD5403 Approved
0.7657 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD7251 Discontinued
0.7647 Intermediate Similarity NPD6559 Discontinued
0.764 Intermediate Similarity NPD37 Approved
0.7639 Intermediate Similarity NPD9717 Approved
0.7628 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD6234 Discontinued
0.7607 Intermediate Similarity NPD4967 Phase 2
0.7607 Intermediate Similarity NPD4965 Approved
0.7607 Intermediate Similarity NPD4966 Approved
0.7602 Intermediate Similarity NPD7808 Phase 3
0.76 Intermediate Similarity NPD943 Approved
0.7548 Intermediate Similarity NPD2654 Approved
0.7532 Intermediate Similarity NPD2344 Approved
0.7532 Intermediate Similarity NPD5401 Approved
0.7518 Intermediate Similarity NPD9493 Approved
0.7515 Intermediate Similarity NPD3751 Discontinued
0.7515 Intermediate Similarity NPD919 Approved
0.7485 Intermediate Similarity NPD7229 Phase 3
0.7485 Intermediate Similarity NPD3787 Discontinued
0.7483 Intermediate Similarity NPD1203 Approved
0.7467 Intermediate Similarity NPD3764 Approved
0.7467 Intermediate Similarity NPD2313 Discontinued
0.7467 Intermediate Similarity NPD411 Approved
0.7467 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.745 Intermediate Similarity NPD6832 Phase 2
0.7448 Intermediate Similarity NPD422 Phase 1
0.7443 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7431 Intermediate Similarity NPD4626 Approved
0.7421 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD7033 Discontinued
0.7397 Intermediate Similarity NPD9269 Phase 2
0.7397 Intermediate Similarity NPD1608 Approved
0.7362 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD9268 Approved
0.7361 Intermediate Similarity NPD5691 Approved
0.7356 Intermediate Similarity NPD8312 Approved
0.7356 Intermediate Similarity NPD8313 Approved
0.7355 Intermediate Similarity NPD5408 Approved
0.7355 Intermediate Similarity NPD5404 Approved
0.7355 Intermediate Similarity NPD5406 Approved
0.7355 Intermediate Similarity NPD5405 Approved
0.7351 Intermediate Similarity NPD3268 Approved
0.7346 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD2309 Approved
0.7337 Intermediate Similarity NPD3926 Phase 2
0.7333 Intermediate Similarity NPD5353 Approved
0.7326 Intermediate Similarity NPD8151 Discontinued
0.7321 Intermediate Similarity NPD1247 Approved
0.7321 Intermediate Similarity NPD7199 Phase 2
0.7315 Intermediate Similarity NPD2798 Approved
0.7315 Intermediate Similarity NPD1019 Discontinued
0.731 Intermediate Similarity NPD7228 Approved
0.7299 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD1470 Approved
0.7248 Intermediate Similarity NPD2797 Approved
0.7243 Intermediate Similarity NPD7435 Discontinued
0.7241 Intermediate Similarity NPD3658 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD5242 Approved
0.7235 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD8150 Discontinued
0.7229 Intermediate Similarity NPD4288 Approved
0.7219 Intermediate Similarity NPD4908 Phase 1
0.7211 Intermediate Similarity NPD1201 Approved
0.7208 Intermediate Similarity NPD5124 Phase 1
0.7208 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6004 Phase 3
0.7197 Intermediate Similarity NPD6002 Phase 3
0.7197 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6005 Phase 3
0.7197 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD17 Approved
0.7192 Intermediate Similarity NPD1778 Approved
0.7181 Intermediate Similarity NPD1283 Approved
0.7175 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7174 Intermediate Similarity NPD6782 Approved
0.7174 Intermediate Similarity NPD6779 Approved
0.7174 Intermediate Similarity NPD6777 Approved
0.7174 Intermediate Similarity NPD6776 Approved
0.7174 Intermediate Similarity NPD6778 Approved
0.7174 Intermediate Similarity NPD6781 Approved
0.7174 Intermediate Similarity NPD6780 Approved
0.7171 Intermediate Similarity NPD3027 Phase 3
0.717 Intermediate Similarity NPD7003 Approved
0.716 Intermediate Similarity NPD6273 Approved
0.7153 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD9494 Approved
0.7151 Intermediate Similarity NPD4287 Approved
0.7143 Intermediate Similarity NPD2979 Phase 3
0.7143 Intermediate Similarity NPD7685 Pre-registration
0.7143 Intermediate Similarity NPD3496 Discontinued
0.7143 Intermediate Similarity NPD4060 Phase 1
0.7135 Intermediate Similarity NPD8434 Phase 2
0.7134 Intermediate Similarity NPD7458 Discontinued
0.7125 Intermediate Similarity NPD6190 Approved
0.7124 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1296 Phase 2
0.7114 Intermediate Similarity NPD4749 Approved
0.7097 Intermediate Similarity NPD6355 Discontinued
0.7095 Intermediate Similarity NPD1610 Phase 2
0.7095 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD2403 Approved
0.7089 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD4363 Phase 3
0.7088 Intermediate Similarity NPD4360 Phase 2
0.7086 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.707 Intermediate Similarity NPD4308 Phase 3
0.7059 Intermediate Similarity NPD7697 Approved
0.7059 Intermediate Similarity NPD7698 Approved
0.7059 Intermediate Similarity NPD4625 Phase 3
0.7059 Intermediate Similarity NPD7696 Phase 3
0.7047 Intermediate Similarity NPD3972 Approved
0.7032 Intermediate Similarity NPD1613 Approved
0.7032 Intermediate Similarity NPD1612 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   16091604
ChEMBL   CHEMBL471473
ZINC  

Physicochemical Properties

Molecular Weight:  348.16
ALogP:  -2.2034
MLogP:  2.89
XLogP:  2.181
# Rotatable Bonds:  4
Polar Surface Area:  85.36
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  25

Download Data

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