Natural Product: NPC478231

Natural Product ID:  NPC478231
Common Name:   talaraculones C
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H24O9
Standard InCHIKey:  KLWMGGWUDBVVRX-UPKQVVFYSA-N
Standard InCHI:  InChI=1S/C22H24O9/c1-11-6-13(23)9-16(24)19(11)21(27)31-20-15-10-30-14(4-5-18(26)29-3)7-12(15)8-17(25)22(20,2)28/h6-9,15,20,23-24,28H,4-5,10H2,1-3H3/t15-,20+,22-/m1/s1
Canonical SMILES:  COC(=O)CCC1=CC2=CC(=O)[C@@]([C@H]([C@@H]2CO1)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 NPC478231 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
0.9797 High Similarity NPC478221
0.9797 High Similarity NPC478230
0.9797 High Similarity NPC472890
0.9797 High Similarity NPC69043
0.9796 High Similarity NPC76041
0.9796 High Similarity NPC184284
0.973 High Similarity NPC137301
0.9667 High Similarity NPC478225
0.9667 High Similarity NPC478226
0.9664 High Similarity NPC170189
0.9664 High Similarity NPC317585
0.9664 High Similarity NPC208173
0.9662 High Similarity NPC115249
0.9662 High Similarity NPC478224
0.966 High Similarity NPC472891
0.9536 High Similarity NPC472889
0.9408 High Similarity NPC246466
0.9355 High Similarity NPC249181
0.9351 High Similarity NPC317544
0.9295 High Similarity NPC191930
0.9267 High Similarity NPC164762
0.9236 High Similarity NPC20237
0.9205 High Similarity NPC91809
0.92 High Similarity NPC84142
0.9177 High Similarity NPC283041
0.9161 High Similarity NPC472055
0.9097 High Similarity NPC470339
0.9091 High Similarity NPC472050
0.9085 High Similarity NPC471695
0.9013 High Similarity NPC56204
0.9 High Similarity NPC328321
0.8981 High Similarity NPC117985
0.8954 High Similarity NPC70016
0.8954 High Similarity NPC215921
0.8947 High Similarity NPC4423
0.8947 High Similarity NPC77325
0.8947 High Similarity NPC270160
0.8947 High Similarity NPC237440
0.894 High Similarity NPC210320
0.8919 High Similarity NPC244923
0.8919 High Similarity NPC158634
0.8912 High Similarity NPC268052
0.8912 High Similarity NPC247409
0.8912 High Similarity NPC32360
0.8903 High Similarity NPC471456
0.8903 High Similarity NPC99381
0.8896 High Similarity NPC470340
0.8882 High Similarity NPC73411
0.8882 High Similarity NPC215711
0.8851 High Similarity NPC158472
0.8844 High Similarity NPC191835
0.8844 High Similarity NPC33144
0.8844 High Similarity NPC478200
0.8839 High Similarity NPC155686
0.8831 High Similarity NPC200773
0.8831 High Similarity NPC240768
0.882 High Similarity NPC473094
0.8808 High Similarity NPC83272
0.88 High Similarity NPC478202
0.88 High Similarity NPC472006
0.8792 High Similarity NPC53649
0.8782 High Similarity NPC68727
0.8776 High Similarity NPC70380
0.8774 High Similarity NPC470338
0.8774 High Similarity NPC470337
0.8774 High Similarity NPC51824
0.8774 High Similarity NPC268992
0.8774 High Similarity NPC167903
0.8774 High Similarity NPC113608
0.8766 High Similarity NPC469670
0.8766 High Similarity NPC469619
0.8765 High Similarity NPC473095
0.8765 High Similarity NPC473096
0.8758 High Similarity NPC94781
0.875 High Similarity NPC107625
0.875 High Similarity NPC473023
0.8742 High Similarity NPC277426
0.8742 High Similarity NPC280404
0.8742 High Similarity NPC86373
0.8742 High Similarity NPC210425
0.8733 High Similarity NPC82913
0.8733 High Similarity NPC322112
0.8726 High Similarity NPC478027
0.8725 High Similarity NPC156872
0.8718 High Similarity NPC192189
0.8716 High Similarity NPC94248
0.8716 High Similarity NPC472602
0.8716 High Similarity NPC212693
0.871 High Similarity NPC132990
0.871 High Similarity NPC46882
0.8707 High Similarity NPC235115
0.8701 High Similarity NPC44378
0.8701 High Similarity NPC280753
0.8699 High Similarity NPC175943
0.8696 High Similarity NPC472049
0.8693 High Similarity NPC81835
0.8693 High Similarity NPC53362
0.8693 High Similarity NPC166583
0.8679 High Similarity NPC243701
0.8675 High Similarity NPC51106
0.8675 High Similarity NPC159721
0.8671 High Similarity NPC473395
0.8667 High Similarity NPC472035
0.8667 High Similarity NPC67650
0.8667 High Similarity NPC478217
0.8667 High Similarity NPC472603
0.8667 High Similarity NPC478201
0.8667 High Similarity NPC1704
0.8667 High Similarity NPC313123
0.8662 High Similarity NPC473241
0.8662 High Similarity NPC16082
0.8662 High Similarity NPC79998
0.8662 High Similarity NPC82592
0.8658 High Similarity NPC92655
0.8658 High Similarity NPC52358
0.8654 High Similarity NPC180944
0.8645 High Similarity NPC179178
0.8642 High Similarity NPC165460
0.8636 High Similarity NPC240253
0.8636 High Similarity NPC471642
0.8636 High Similarity NPC471641
0.8636 High Similarity NPC240622
0.863 High Similarity NPC153783
0.8627 High Similarity NPC260946
0.8627 High Similarity NPC51513
0.8627 High Similarity NPC472033
0.8627 High Similarity NPC202112
0.8618 High Similarity NPC210966
0.8618 High Similarity NPC151607
0.8618 High Similarity NPC478203
0.8618 High Similarity NPC42540
0.8618 High Similarity NPC126882
0.8618 High Similarity NPC103910
0.8609 High Similarity NPC474385
0.8608 High Similarity NPC272550
0.8608 High Similarity NPC164427
0.8608 High Similarity NPC150227
0.86 High Similarity NPC472601
0.86 High Similarity NPC472600
0.8599 High Similarity NPC281477
0.8599 High Similarity NPC281703
0.8599 High Similarity NPC472799
0.8599 High Similarity NPC301233
0.8599 High Similarity NPC125487
0.8591 High Similarity NPC126739
0.8591 High Similarity NPC197666
0.8591 High Similarity NPC472403
0.859 High Similarity NPC205918
0.858 High Similarity NPC294722
0.858 High Similarity NPC211592
0.8571 High Similarity NPC259632
0.8571 High Similarity NPC472036
0.8571 High Similarity NPC315772
0.8562 High Similarity NPC312789
0.8562 High Similarity NPC470810
0.8562 High Similarity NPC257558
0.8562 High Similarity NPC472034
0.8554 High Similarity NPC294149
0.8553 High Similarity NPC77679
0.8553 High Similarity NPC263483
0.8553 High Similarity NPC354984
0.8553 High Similarity NPC469542
0.8553 High Similarity NPC471731
0.8553 High Similarity NPC84935
0.8553 High Similarity NPC190020
0.8553 High Similarity NPC257309
0.8545 High Similarity NPC473113
0.8545 High Similarity NPC472620
0.8544 High Similarity NPC199926
0.8544 High Similarity NPC175192
0.8544 High Similarity NPC326910
0.8543 High Similarity NPC130485
0.8543 High Similarity NPC90411
0.8543 High Similarity NPC475730
0.8543 High Similarity NPC472605
0.8543 High Similarity NPC472604
0.8535 High Similarity NPC161159
0.8535 High Similarity NPC256141
0.8533 High Similarity NPC139634
0.8533 High Similarity NPC88269
0.8533 High Similarity NPC105456
0.8533 High Similarity NPC471819
0.8526 High Similarity NPC96501
0.8526 High Similarity NPC225854
0.8526 High Similarity NPC158866
0.8526 High Similarity NPC295036
0.8526 High Similarity NPC180351
0.8526 High Similarity NPC150928
0.8523 High Similarity NPC65837
0.8523 High Similarity NPC178467
0.8523 High Similarity NPC71256
0.8523 High Similarity NPC149372
0.8523 High Similarity NPC474849
0.8523 High Similarity NPC474771
0.8523 High Similarity NPC135837
0.8521 High Similarity NPC182693
0.8516 High Similarity NPC153417
0.8516 High Similarity NPC221352
0.8516 High Similarity NPC2569
0.8516 High Similarity NPC172329

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC478231 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
0.8658 High Similarity NPD970 Clinical (unspecified phase)
0.8428 Intermediate Similarity NPD3817 Phase 2
0.8323 Intermediate Similarity NPD2533 Approved
0.8323 Intermediate Similarity NPD2534 Approved
0.8323 Intermediate Similarity NPD7075 Discontinued
0.8323 Intermediate Similarity NPD2532 Approved
0.8303 Intermediate Similarity NPD7473 Discontinued
0.8232 Intermediate Similarity NPD6232 Discontinued
0.8199 Intermediate Similarity NPD5402 Approved
0.8187 Intermediate Similarity NPD6801 Discontinued
0.8176 Intermediate Similarity NPD4380 Phase 2
0.8141 Intermediate Similarity NPD6799 Approved
0.8137 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD2801 Approved
0.8137 Intermediate Similarity NPD7819 Suspended
0.8118 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8089 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8075 Intermediate Similarity NPD1934 Approved
0.8063 Intermediate Similarity NPD6599 Discontinued
0.8038 Intermediate Similarity NPD1512 Approved
0.8037 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8037 Intermediate Similarity NPD3882 Suspended
0.8035 Intermediate Similarity NPD8150 Discontinued
0.8025 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8024 Intermediate Similarity NPD6166 Phase 2
0.8024 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD230 Phase 1
0.8 Intermediate Similarity NPD6797 Phase 2
0.7988 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD5403 Approved
0.7955 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7953 Intermediate Similarity NPD7251 Discontinued
0.7952 Intermediate Similarity NPD6959 Discontinued
0.7929 Intermediate Similarity NPD3818 Discontinued
0.7911 Intermediate Similarity NPD1511 Approved
0.7907 Intermediate Similarity NPD7808 Phase 3
0.7882 Intermediate Similarity NPD7054 Approved
0.7882 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD5401 Approved
0.7857 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD1510 Phase 2
0.7836 Intermediate Similarity NPD7472 Approved
0.7834 Intermediate Similarity NPD3750 Approved
0.7791 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD6190 Approved
0.7758 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7756 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7742 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7733 Intermediate Similarity NPD7074 Phase 3
0.7725 Intermediate Similarity NPD6234 Discontinued
0.7722 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7707 Intermediate Similarity NPD1549 Phase 2
0.7697 Intermediate Similarity NPD1465 Phase 2
0.7692 Intermediate Similarity NPD2796 Approved
0.7692 Intermediate Similarity NPD5710 Approved
0.7692 Intermediate Similarity NPD5711 Approved
0.7688 Intermediate Similarity NPD7390 Discontinued
0.7683 Intermediate Similarity NPD7411 Suspended
0.7674 Intermediate Similarity NPD5844 Phase 1
0.7665 Intermediate Similarity NPD3749 Approved
0.7644 Intermediate Similarity NPD6559 Discontinued
0.764 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7636 Intermediate Similarity NPD37 Approved
0.7627 Intermediate Similarity NPD8434 Phase 2
0.7616 Intermediate Similarity NPD3751 Discontinued
0.7613 Intermediate Similarity NPD1607 Approved
0.761 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7605 Intermediate Similarity NPD4967 Phase 2
0.7605 Intermediate Similarity NPD4965 Approved
0.7605 Intermediate Similarity NPD4966 Approved
0.7597 Intermediate Similarity NPD1240 Approved
0.7574 Intermediate Similarity NPD5494 Approved
0.7571 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD3226 Approved
0.7547 Intermediate Similarity NPD2800 Approved
0.7542 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7527 Intermediate Similarity NPD7435 Discontinued
0.7516 Intermediate Similarity NPD3748 Approved
0.75 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD4628 Phase 3
0.75 Intermediate Similarity NPD6651 Approved
0.7487 Intermediate Similarity NPD8319 Approved
0.7487 Intermediate Similarity NPD8320 Phase 1
0.7485 Intermediate Similarity NPD3787 Discontinued
0.7484 Intermediate Similarity NPD943 Approved
0.7473 Intermediate Similarity NPD6535 Approved
0.7473 Intermediate Similarity NPD6534 Approved
0.7468 Intermediate Similarity NPD6100 Approved
0.7468 Intermediate Similarity NPD2935 Discontinued
0.7468 Intermediate Similarity NPD6099 Approved
0.7468 Intermediate Similarity NPD1551 Phase 2
0.7459 Intermediate Similarity NPD6782 Approved
0.7459 Intermediate Similarity NPD6777 Approved
0.7459 Intermediate Similarity NPD6776 Approved
0.7459 Intermediate Similarity NPD6779 Approved
0.7459 Intermediate Similarity NPD6778 Approved
0.7459 Intermediate Similarity NPD6781 Approved
0.7459 Intermediate Similarity NPD6780 Approved
0.7458 Intermediate Similarity NPD8313 Approved
0.7458 Intermediate Similarity NPD8312 Approved
0.7442 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7414 Intermediate Similarity NPD7228 Approved
0.7412 Intermediate Similarity NPD919 Approved
0.7396 Intermediate Similarity NPD7768 Phase 2
0.7355 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7355 Intermediate Similarity NPD3764 Approved
0.7351 Intermediate Similarity NPD7700 Phase 2
0.7351 Intermediate Similarity NPD7699 Phase 2
0.7333 Intermediate Similarity NPD920 Approved
0.733 Intermediate Similarity NPD8151 Discontinued
0.7326 Intermediate Similarity NPD7199 Phase 2
0.7317 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD2346 Discontinued
0.7301 Intermediate Similarity NPD3300 Phase 2
0.7297 Intermediate Similarity NPD9545 Approved
0.7292 Intermediate Similarity NPD7874 Approved
0.7292 Intermediate Similarity NPD7875 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD9269 Phase 2
0.725 Intermediate Similarity NPD5406 Approved
0.725 Intermediate Similarity NPD5408 Approved
0.725 Intermediate Similarity NPD5405 Approved
0.725 Intermediate Similarity NPD5404 Approved
0.7249 Intermediate Similarity NPD7698 Approved
0.7249 Intermediate Similarity NPD7696 Phase 3
0.7249 Intermediate Similarity NPD7697 Approved
0.7247 Intermediate Similarity NPD7685 Pre-registration
0.7241 Intermediate Similarity NPD3926 Phase 2
0.7229 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD1247 Approved
0.7222 Intermediate Similarity NPD1243 Approved
0.7222 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7215 Intermediate Similarity NPD447 Suspended
0.7212 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD7870 Phase 2
0.7211 Intermediate Similarity NPD7871 Phase 2
0.7209 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD2403 Approved
0.7191 Intermediate Similarity NPD5953 Discontinued
0.7188 Intermediate Similarity NPD7701 Phase 2
0.7188 Intermediate Similarity NPD2799 Discontinued
0.7165 Intermediate Similarity NPD7801 Approved
0.7162 Intermediate Similarity NPD9493 Approved
0.7152 Intermediate Similarity NPD4060 Phase 1
0.7143 Intermediate Similarity NPD1470 Approved
0.7135 Intermediate Similarity NPD5353 Approved
0.7133 Intermediate Similarity NPD9268 Approved
0.7108 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6355 Discontinued
0.7105 Intermediate Similarity NPD1201 Approved
0.7091 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD7229 Phase 3
0.7083 Intermediate Similarity NPD1653 Approved
0.7081 Intermediate Similarity NPD7033 Discontinued
0.7079 Intermediate Similarity NPD7286 Phase 2
0.7077 Intermediate Similarity NPD7783 Phase 2
0.7077 Intermediate Similarity NPD7782 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD8166 Discontinued
0.7056 Intermediate Similarity NPD8368 Discontinued
0.7056 Intermediate Similarity NPD7240 Approved
0.7047 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7458 Discontinued
0.7025 Intermediate Similarity NPD2313 Discontinued
0.7025 Intermediate Similarity NPD3268 Approved
0.7025 Intermediate Similarity NPD6798 Discontinued
0.7017 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7016 Intermediate Similarity NPD6823 Phase 2
0.7013 Intermediate Similarity NPD4749 Approved
0.7012 Intermediate Similarity NPD1652 Phase 2
0.7006 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7006 Intermediate Similarity NPD6832 Phase 2
0.7 Intermediate Similarity NPD5124 Phase 1
0.7 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.6995 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6993 Remote Similarity NPD422 Phase 1
0.6988 Remote Similarity NPD7236 Approved
0.6987 Remote Similarity NPD2798 Approved
0.6981 Remote Similarity NPD6233 Phase 2
0.6952 Remote Similarity NPD6213 Phase 3
0.6952 Remote Similarity NPD6212 Phase 3
0.6952 Remote Similarity NPD6214 Clinical (unspecified phase)
0.6948 Remote Similarity NPD9717 Approved
0.6946 Remote Similarity NPD6143 Clinical (unspecified phase)
0.694 Remote Similarity NPD8407 Phase 2
0.6936 Remote Similarity NPD4288 Approved
0.6933 Remote Similarity NPD2438 Suspended
0.6931 Remote Similarity NPD8155 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7799 Discontinued
0.6923 Remote Similarity NPD36 Approved
0.6923 Remote Similarity NPD4955 Approved
0.6923 Remote Similarity NPD1203 Approved
0.6923 Remote Similarity NPD2797 Approved
0.6923 Remote Similarity NPD4954 Approved
0.6923 Remote Similarity NPD5028 Approved
0.6923 Remote Similarity NPD5034 Approved
0.6923 Remote Similarity NPD5026 Approved
0.6918 Remote Similarity NPD6410 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID  
ChEMBL  
ZINC  

Physicochemical Properties

Molecular Weight:  432.14
ALogP:  -0.9501
MLogP:  2.89
XLogP:  1.284
# Rotatable Bonds:  13
Polar Surface Area:  139.59
# H-Bond Aceptor:  7
# H-Bond Donor:  3
# Rings:  3
# Heavy Atoms:  31

Download Data

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