Natural Product: NPC478224

Natural Product ID:  NPC478224
Common Name:   talaraculones F
IUPAC Name:  
Synonyms:  
Molecular Formula:   C21H20O8
Standard InCHIKey:  QKNQKIUAUKALFY-AWJROHARSA-N
Standard InCHI:  InChI=1S/C21H20O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-19-15-10-28-14(4-3-5-22)7-12(15)8-17(25)21(19,2)27/h3-4,6-10,19,22-24,27H,5H2,1-2H3/b4-3+/t19-,21+/m0/s1
Canonical SMILES:  OC/C=C/C1=CC2=CC(=O)[C@@]([C@H](C2=CO1)OC(=O)c1c(C)cc(cc1O)O)(C)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
NPO33693 Talaromyces aculeatus DS-62013 Species Trichocomaceae Eukaryota saline-alkali soil, Shandong Province, China 2013-APR PMID[28749670]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT7288 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC50 > 200 µM 28749670
NPT7289 Organism Vibrio anguillarum Vibrio anguillarum MIC > 8.28 µg/mL 28749670

  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 NPC478224 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
0.9864 High Similarity NPC69043
0.9864 High Similarity NPC478230
0.9862 High Similarity NPC472891
0.9796 High Similarity NPC137301
0.9732 High Similarity NPC472889
0.973 High Similarity NPC472890
0.973 High Similarity NPC208173
0.973 High Similarity NPC170189
0.9728 High Similarity NPC184284
0.9728 High Similarity NPC76041
0.9728 High Similarity NPC115249
0.9662 High Similarity NPC478231
0.96 High Similarity NPC478225
0.9597 High Similarity NPC478221
0.9597 High Similarity NPC317585
0.9527 High Similarity NPC91809
0.947 High Similarity NPC478226
0.947 High Similarity NPC246466
0.9459 High Similarity NPC164762
0.9412 High Similarity NPC317544
0.9392 High Similarity NPC84142
0.9272 High Similarity NPC471695
0.9257 High Similarity NPC210320
0.9241 High Similarity NPC158634
0.9236 High Similarity NPC283041
0.9231 High Similarity NPC191930
0.9195 High Similarity NPC73411
0.9195 High Similarity NPC215711
0.9172 High Similarity NPC158472
0.9172 High Similarity NPC20237
0.9167 High Similarity NPC249181
0.9103 High Similarity NPC32360
0.9103 High Similarity NPC268052
0.9103 High Similarity NPC247409
0.9073 High Similarity NPC56204
0.9057 High Similarity NPC328321
0.9054 High Similarity NPC86373
0.9054 High Similarity NPC280404
0.9054 High Similarity NPC210425
0.9054 High Similarity NPC277426
0.9034 High Similarity NPC33144
0.9034 High Similarity NPC478200
0.9026 High Similarity NPC472050
0.9013 High Similarity NPC215921
0.9013 High Similarity NPC70016
0.9007 High Similarity NPC4423
0.9007 High Similarity NPC270160
0.9007 High Similarity NPC237440
0.9007 High Similarity NPC77325
0.8986 High Similarity NPC478202
0.898 High Similarity NPC244923
0.8974 High Similarity NPC472055
0.8961 High Similarity NPC99381
0.8933 High Similarity NPC473023
0.8919 High Similarity NPC474385
0.8919 High Similarity NPC82913
0.8917 High Similarity NPC117985
0.891 High Similarity NPC470339
0.8904 High Similarity NPC94248
0.8904 High Similarity NPC191835
0.8904 High Similarity NPC212693
0.8889 High Similarity NPC200773
0.8889 High Similarity NPC240768
0.8867 High Similarity NPC83272
0.8851 High Similarity NPC472035
0.8851 High Similarity NPC313123
0.8851 High Similarity NPC478217
0.8851 High Similarity NPC53649
0.8851 High Similarity NPC478201
0.8844 High Similarity NPC52358
0.8836 High Similarity NPC70380
0.8824 High Similarity NPC469619
0.8824 High Similarity NPC469670
0.8816 High Similarity NPC240253
0.8816 High Similarity NPC240622
0.8816 High Similarity NPC471641
0.8816 High Similarity NPC471642
0.88 High Similarity NPC42540
0.88 High Similarity NPC151607
0.8776 High Similarity NPC472602
0.8774 High Similarity NPC155686
0.8767 High Similarity NPC235115
0.8766 High Similarity NPC46882
0.8766 High Similarity NPC132990
0.8759 High Similarity NPC175943
0.8758 High Similarity NPC476684
0.8758 High Similarity NPC473094
0.875 High Similarity NPC472036
0.8742 High Similarity NPC257558
0.8742 High Similarity NPC472034
0.8733 High Similarity NPC472006
0.8733 High Similarity NPC159721
0.8733 High Similarity NPC469542
0.8733 High Similarity NPC471731
0.8733 High Similarity NPC51106
0.8725 High Similarity NPC472603
0.8725 High Similarity NPC472605
0.8725 High Similarity NPC1704
0.8725 High Similarity NPC472604
0.8725 High Similarity NPC475730
0.8725 High Similarity NPC67650
0.8718 High Similarity NPC473241
0.8716 High Similarity NPC105456
0.8716 High Similarity NPC92655
0.8716 High Similarity NPC139634
0.871 High Similarity NPC470340
0.871 High Similarity NPC167903
0.8707 High Similarity NPC71256
0.8704 High Similarity NPC473095
0.8704 High Similarity NPC473096
0.8693 High Similarity NPC221352
0.869 High Similarity NPC153783
0.8684 High Similarity NPC472033
0.8675 High Similarity NPC210966
0.8675 High Similarity NPC478203
0.8675 High Similarity NPC126882
0.8675 High Similarity NPC103910
0.8667 High Similarity NPC469579
0.8667 High Similarity NPC471733
0.8662 High Similarity NPC478027
0.8658 High Similarity NPC155205
0.8658 High Similarity NPC472601
0.8658 High Similarity NPC156872
0.8658 High Similarity NPC472600
0.8649 High Similarity NPC126739
0.8649 High Similarity NPC197666
0.8649 High Similarity NPC9121
0.8649 High Similarity NPC177307
0.8649 High Similarity NPC475974
0.8645 High Similarity NPC205918
0.8636 High Similarity NPC280753
0.8636 High Similarity NPC44378
0.8634 High Similarity NPC472049
0.8627 High Similarity NPC166583
0.8627 High Similarity NPC53362
0.8627 High Similarity NPC81835
0.8618 High Similarity NPC312789
0.8608 High Similarity NPC473395
0.8608 High Similarity NPC257309
0.86 High Similarity NPC130485
0.8599 High Similarity NPC16082
0.8599 High Similarity NPC471456
0.8599 High Similarity NPC68727
0.8599 High Similarity NPC82592
0.8599 High Similarity NPC237560
0.859 High Similarity NPC470338
0.859 High Similarity NPC256141
0.859 High Similarity NPC268992
0.859 High Similarity NPC51824
0.859 High Similarity NPC470337
0.859 High Similarity NPC113608
0.8589 High Similarity NPC472619
0.8581 High Similarity NPC158866
0.8581 High Similarity NPC178467
0.8581 High Similarity NPC65837
0.8581 High Similarity NPC474771
0.8581 High Similarity NPC135837
0.8581 High Similarity NPC179178
0.8581 High Similarity NPC149372
0.8581 High Similarity NPC474849
0.8571 High Similarity NPC142027
0.8571 High Similarity NPC94781
0.8571 High Similarity NPC27407
0.8571 High Similarity NPC37139
0.8562 High Similarity NPC107625
0.8562 High Similarity NPC112418
0.8553 High Similarity NPC477410
0.8553 High Similarity NPC475201
0.8553 High Similarity NPC257025
0.8552 High Similarity NPC219892
0.8552 High Similarity NPC189823
0.8544 High Similarity NPC272550
0.8544 High Similarity NPC227062
0.8543 High Similarity NPC322112
0.8543 High Similarity NPC250755
0.8535 High Similarity NPC192189
0.8535 High Similarity NPC472799
0.8535 High Similarity NPC301233
0.8535 High Similarity NPC198236
0.8535 High Similarity NPC55092
0.8535 High Similarity NPC281477
0.8533 High Similarity NPC64664
0.8523 High Similarity NPC472403
0.8519 High Similarity NPC294722
0.8514 High Similarity NPC50455
0.8509 High Similarity NPC471745
0.8506 High Similarity NPC476463
0.8506 High Similarity NPC14098
0.8506 High Similarity NPC471734
0.8506 High Similarity NPC259632
0.85 High Similarity NPC471744
0.85 High Similarity NPC470183
0.85 High Similarity NPC243701
0.8494 Intermediate Similarity NPC294149
0.8491 Intermediate Similarity NPC77679
0.8491 Intermediate Similarity NPC190020
0.8491 Intermediate Similarity NPC84935
0.8487 Intermediate Similarity NPC21873
0.8487 Intermediate Similarity NPC354984
0.8487 Intermediate Similarity NPC472610

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478224 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
0.8591 High Similarity NPD970 Clinical (unspecified phase)
0.8491 Intermediate Similarity NPD7075 Discontinued
0.8481 Intermediate Similarity NPD3817 Phase 2
0.8471 Intermediate Similarity NPD6801 Discontinued
0.8344 Intermediate Similarity NPD4380 Phase 2
0.8312 Intermediate Similarity NPD6799 Approved
0.8302 Intermediate Similarity NPD7819 Suspended
0.8302 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8269 Intermediate Similarity NPD5403 Approved
0.825 Intermediate Similarity NPD5402 Approved
0.8228 Intermediate Similarity NPD6599 Discontinued
0.8182 Intermediate Similarity NPD6166 Phase 2
0.8182 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8171 Intermediate Similarity NPD6232 Discontinued
0.8166 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8155 Intermediate Similarity NPD6797 Phase 2
0.8148 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8141 Intermediate Similarity NPD5401 Approved
0.8141 Intermediate Similarity NPD2532 Approved
0.8141 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8141 Intermediate Similarity NPD2534 Approved
0.8141 Intermediate Similarity NPD2533 Approved
0.8133 Intermediate Similarity NPD7473 Discontinued
0.8125 Intermediate Similarity NPD1934 Approved
0.8107 Intermediate Similarity NPD7251 Discontinued
0.8089 Intermediate Similarity NPD1512 Approved
0.8086 Intermediate Similarity NPD3882 Suspended
0.8075 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD2801 Approved
0.8059 Intermediate Similarity NPD7808 Phase 3
0.8036 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.8036 Intermediate Similarity NPD7054 Approved
0.8026 Intermediate Similarity NPD1510 Phase 2
0.8 Intermediate Similarity NPD3750 Approved
0.8 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7988 Intermediate Similarity NPD7472 Approved
0.7977 Intermediate Similarity NPD8150 Discontinued
0.7976 Intermediate Similarity NPD3818 Discontinued
0.7962 Intermediate Similarity NPD1511 Approved
0.7922 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7892 Intermediate Similarity NPD6959 Discontinued
0.7885 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7882 Intermediate Similarity NPD7074 Phase 3
0.7871 Intermediate Similarity NPD1549 Phase 2
0.7866 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD2796 Approved
0.784 Intermediate Similarity NPD7411 Suspended
0.7834 Intermediate Similarity NPD6190 Approved
0.7829 Intermediate Similarity NPD230 Phase 1
0.7824 Intermediate Similarity NPD5844 Phase 1
0.7805 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7799 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7792 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7791 Intermediate Similarity NPD6559 Discontinued
0.7778 Intermediate Similarity NPD1607 Approved
0.7771 Intermediate Similarity NPD4628 Phase 3
0.7763 Intermediate Similarity NPD1240 Approved
0.7733 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7711 Intermediate Similarity NPD3749 Approved
0.7677 Intermediate Similarity NPD3748 Approved
0.7677 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD3751 Discontinued
0.7647 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7628 Intermediate Similarity NPD1551 Phase 2
0.7625 Intermediate Similarity NPD7390 Discontinued
0.7571 Intermediate Similarity NPD8434 Phase 2
0.7568 Intermediate Similarity NPD7435 Discontinued
0.756 Intermediate Similarity NPD919 Approved
0.7547 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7545 Intermediate Similarity NPD7768 Phase 2
0.7532 Intermediate Similarity NPD943 Approved
0.753 Intermediate Similarity NPD1465 Phase 2
0.7529 Intermediate Similarity NPD5711 Approved
0.7529 Intermediate Similarity NPD5710 Approved
0.7529 Intermediate Similarity NPD3787 Discontinued
0.7516 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2935 Discontinued
0.7514 Intermediate Similarity NPD6535 Approved
0.7514 Intermediate Similarity NPD6534 Approved
0.75 Intermediate Similarity NPD6781 Approved
0.75 Intermediate Similarity NPD6777 Approved
0.75 Intermediate Similarity NPD6776 Approved
0.75 Intermediate Similarity NPD6780 Approved
0.75 Intermediate Similarity NPD6778 Approved
0.75 Intermediate Similarity NPD3226 Approved
0.75 Intermediate Similarity NPD6782 Approved
0.75 Intermediate Similarity NPD6779 Approved
0.7486 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD7199 Phase 2
0.747 Intermediate Similarity NPD37 Approved
0.7466 Intermediate Similarity NPD9545 Approved
0.7456 Intermediate Similarity NPD6234 Discontinued
0.744 Intermediate Similarity NPD4966 Approved
0.744 Intermediate Similarity NPD4967 Phase 2
0.744 Intermediate Similarity NPD4965 Approved
0.7436 Intermediate Similarity NPD6651 Approved
0.7433 Intermediate Similarity NPD8319 Approved
0.7433 Intermediate Similarity NPD8320 Phase 1
0.7432 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7416 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7412 Intermediate Similarity NPD5494 Approved
0.7405 Intermediate Similarity NPD6099 Approved
0.7405 Intermediate Similarity NPD5408 Approved
0.7405 Intermediate Similarity NPD5404 Approved
0.7405 Intermediate Similarity NPD5405 Approved
0.7405 Intermediate Similarity NPD5406 Approved
0.7405 Intermediate Similarity NPD6100 Approved
0.7403 Intermediate Similarity NPD3764 Approved
0.7401 Intermediate Similarity NPD8313 Approved
0.7401 Intermediate Similarity NPD8312 Approved
0.7391 Intermediate Similarity NPD7700 Phase 2
0.7391 Intermediate Similarity NPD7699 Phase 2
0.7378 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7375 Intermediate Similarity NPD2800 Approved
0.7375 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7342 Intermediate Similarity NPD7033 Discontinued
0.733 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD7874 Approved
0.7329 Intermediate Similarity NPD9493 Approved
0.7287 Intermediate Similarity NPD7698 Approved
0.7287 Intermediate Similarity NPD7697 Approved
0.7287 Intermediate Similarity NPD7696 Phase 3
0.7283 Intermediate Similarity NPD3926 Phase 2
0.7277 Intermediate Similarity NPD8151 Discontinued
0.7273 Intermediate Similarity NPD920 Approved
0.7267 Intermediate Similarity NPD1243 Approved
0.7267 Intermediate Similarity NPD1201 Approved
0.7257 Intermediate Similarity NPD7228 Approved
0.7256 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD2346 Discontinued
0.7249 Intermediate Similarity NPD7870 Phase 2
0.7249 Intermediate Similarity NPD7871 Phase 2
0.7239 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD3300 Phase 2
0.7232 Intermediate Similarity NPD5953 Discontinued
0.7229 Intermediate Similarity NPD1653 Approved
0.7225 Intermediate Similarity NPD7701 Phase 2
0.7197 Intermediate Similarity NPD4060 Phase 1
0.7191 Intermediate Similarity NPD7685 Pre-registration
0.719 Intermediate Similarity NPD1470 Approved
0.7186 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD6798 Discontinued
0.7168 Intermediate Similarity NPD1247 Approved
0.7161 Intermediate Similarity NPD6832 Phase 2
0.716 Intermediate Similarity NPD1652 Phase 2
0.7152 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5124 Phase 1
0.7152 Intermediate Similarity NPD6355 Discontinued
0.7152 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD447 Suspended
0.7152 Intermediate Similarity NPD422 Phase 1
0.7151 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7125 Intermediate Similarity NPD2799 Discontinued
0.7117 Intermediate Similarity NPD8166 Discontinued
0.7113 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7113 Intermediate Similarity NPD7783 Phase 2
0.7113 Intermediate Similarity NPD7801 Approved
0.7105 Intermediate Similarity NPD9269 Phase 2
0.7105 Intermediate Similarity NPD9717 Approved
0.7095 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7091 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD7458 Discontinued
0.7078 Intermediate Similarity NPD1203 Approved
0.7076 Intermediate Similarity NPD4288 Approved
0.707 Intermediate Similarity NPD3268 Approved
0.707 Intermediate Similarity NPD411 Approved
0.7053 Intermediate Similarity NPD6823 Phase 2
0.7048 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD5763 Approved
0.7037 Intermediate Similarity NPD7266 Discontinued
0.7037 Intermediate Similarity NPD5762 Approved
0.7032 Intermediate Similarity NPD2798 Approved
0.703 Intermediate Similarity NPD7236 Approved
0.7025 Intermediate Similarity NPD6233 Phase 2
0.7022 Intermediate Similarity NPD7286 Phase 2
0.7019 Intermediate Similarity NPD4308 Phase 3
0.7006 Intermediate Similarity NPD6273 Approved
0.7006 Intermediate Similarity NPD3027 Phase 3
0.7 Intermediate Similarity NPD8368 Discontinued
0.6989 Remote Similarity NPD6212 Phase 3
0.6989 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6989 Remote Similarity NPD6213 Phase 3
0.6981 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6981 Remote Similarity NPD1613 Approved
0.6975 Remote Similarity NPD2438 Suspended
0.6968 Remote Similarity NPD2797 Approved
0.6966 Remote Similarity NPD7799 Discontinued
0.6965 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6962 Remote Similarity NPD2313 Discontinued
0.6954 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6954 Remote Similarity NPD9268 Approved
0.6951 Remote Similarity NPD2654 Approved
0.6949 Remote Similarity NPD2403 Approved
0.6948 Remote Similarity NPD4749 Approved
0.6947 Remote Similarity NPD7501 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  400.12
ALogP:  -1.1869
MLogP:  2.89
XLogP:  1.455
# Rotatable Bonds:  11
Polar Surface Area:  133.52
# H-Bond Aceptor:  6
# H-Bond Donor:  4
# Rings:  3
# Heavy Atoms:  29

Download Data

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