Natural Product: NPC156872

Natural Product ID:  NPC156872
Common Name:   6-Deoxy-7-O-Demethyl-3,4-Anhydrofusarubin
IUPAC Name:   7,9-dihydroxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
Synonyms:  
Molecular Formula:   C14H10O5
Standard InCHIKey:  ATLURBSTOUCQEI-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C14H10O5/c1-6-2-8-10(5-19-6)14(18)12-9(13(8)17)3-7(15)4-11(12)16/h2-4,15-16H,5H2,1H3
Canonical SMILES:  CC1=CC2=C(CO1)C(=O)c1c(C2=O)cc(cc1O)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
NPO32584 trichopezizella nidulus Species Hyaloscyphaceae Eukaryota PMID[9548866]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6284 Organism Lachnellula Lachnellula IZ = 14 mm 21856049

  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 NPC156872 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
0.9565 High Similarity NPC475201
0.9275 High Similarity NPC109007
0.9149 High Similarity NPC19896
0.9078 High Similarity NPC277369
0.9078 High Similarity NPC215451
0.9065 High Similarity NPC92655
0.9065 High Similarity NPC268052
0.9021 High Similarity NPC470570
0.9014 High Similarity NPC48762
0.9014 High Similarity NPC21599
0.9014 High Similarity NPC193703
0.8978 High Similarity NPC175943
0.8973 High Similarity NPC46882
0.8973 High Similarity NPC132990
0.8966 High Similarity NPC84142
0.8958 High Similarity NPC312929
0.8958 High Similarity NPC190648
0.8958 High Similarity NPC126767
0.8958 High Similarity NPC289042
0.8958 High Similarity NPC118027
0.8958 High Similarity NPC245584
0.8958 High Similarity NPC56433
0.8951 High Similarity NPC28632
0.8951 High Similarity NPC34482
0.8929 High Similarity NPC32360
0.8912 High Similarity NPC154683
0.8912 High Similarity NPC40356
0.8905 High Similarity NPC153783
0.8904 High Similarity NPC290954
0.8904 High Similarity NPC470568
0.8904 High Similarity NPC164762
0.8904 High Similarity NPC255641
0.8904 High Similarity NPC147735
0.8859 High Similarity NPC472050
0.8857 High Similarity NPC61590
0.8851 High Similarity NPC155686
0.8849 High Similarity NPC242712
0.8849 High Similarity NPC235115
0.8849 High Similarity NPC254847
0.8849 High Similarity NPC50455
0.8844 High Similarity NPC91809
0.8844 High Similarity NPC470569
0.8841 High Similarity NPC44437
0.8828 High Similarity NPC22005
0.8828 High Similarity NPC7943
0.8828 High Similarity NPC123202
0.8815 High Similarity NPC179898
0.8803 High Similarity NPC158634
0.8803 High Similarity NPC204045
0.8803 High Similarity NPC305845
0.8794 High Similarity NPC295339
0.8794 High Similarity NPC190457
0.8794 High Similarity NPC247409
0.8794 High Similarity NPC52358
0.8794 High Similarity NPC57380
0.8786 High Similarity NPC53414
0.8786 High Similarity NPC471905
0.8786 High Similarity NPC135837
0.8786 High Similarity NPC53206
0.8786 High Similarity NPC193792
0.8784 High Similarity NPC115249
0.8784 High Similarity NPC470340
0.8776 High Similarity NPC202595
0.8776 High Similarity NPC294646
0.8776 High Similarity NPC472891
0.8776 High Similarity NPC295036
0.8767 High Similarity NPC153417
0.8767 High Similarity NPC27221
0.8767 High Similarity NPC256672
0.8767 High Similarity NPC7025
0.8759 High Similarity NPC189823
0.8759 High Similarity NPC219892
0.8741 High Similarity NPC49108
0.8741 High Similarity NPC94076
0.8741 High Similarity NPC135524
0.8741 High Similarity NPC82913
0.8741 High Similarity NPC182255
0.8732 High Similarity NPC469523
0.8725 High Similarity NPC214632
0.8725 High Similarity NPC137301
0.8725 High Similarity NPC478231
0.8725 High Similarity NPC208806
0.8723 High Similarity NPC191835
0.8723 High Similarity NPC33144
0.8723 High Similarity NPC478200
0.8723 High Similarity NPC212767
0.8716 High Similarity NPC230848
0.8714 High Similarity NPC158481
0.8707 High Similarity NPC97029
0.8707 High Similarity NPC97028
0.8707 High Similarity NPC158338
0.8707 High Similarity NPC288036
0.8707 High Similarity NPC10027
0.8707 High Similarity NPC65589
0.8707 High Similarity NPC134293
0.8707 High Similarity NPC100985
0.8707 High Similarity NPC4423
0.8707 High Similarity NPC77325
0.8707 High Similarity NPC65775
0.869 High Similarity NPC474630
0.8686 High Similarity NPC147757
0.8681 High Similarity NPC472006
0.8681 High Similarity NPC310340
0.8681 High Similarity NPC84266
0.8681 High Similarity NPC159721
0.8681 High Similarity NPC478202
0.8675 High Similarity NPC263483
0.8675 High Similarity NPC472889
0.8671 High Similarity NPC90411
0.8671 High Similarity NPC472603
0.8671 High Similarity NPC53649
0.8671 High Similarity NPC275734
0.8671 High Similarity NPC101366
0.8671 High Similarity NPC472035
0.8671 High Similarity NPC478201
0.8671 High Similarity NPC110810
0.8671 High Similarity NPC253822
0.8671 High Similarity NPC283292
0.8671 High Similarity NPC37530
0.8667 High Similarity NPC472890
0.8667 High Similarity NPC478221
0.8667 High Similarity NPC317585
0.8662 High Similarity NPC242994
0.8662 High Similarity NPC278323
0.8662 High Similarity NPC90665
0.8662 High Similarity NPC309154
0.8662 High Similarity NPC279668
0.8662 High Similarity NPC25427
0.8662 High Similarity NPC55162
0.8662 High Similarity NPC275356
0.8662 High Similarity NPC143438
0.8662 High Similarity NPC88269
0.8662 High Similarity NPC138099
0.8662 High Similarity NPC12175
0.8658 High Similarity NPC478224
0.8658 High Similarity NPC184284
0.8658 High Similarity NPC76041
0.8652 High Similarity NPC235428
0.8652 High Similarity NPC87545
0.8652 High Similarity NPC70380
0.8649 High Similarity NPC470107
0.8643 High Similarity NPC180905
0.8643 High Similarity NPC182496
0.8639 High Similarity NPC2569
0.8639 High Similarity NPC172329
0.8633 High Similarity NPC267205
0.863 High Similarity NPC472033
0.8621 High Similarity NPC151607
0.8621 High Similarity NPC244691
0.8621 High Similarity NPC471906
0.8621 High Similarity NPC42540
0.8611 High Similarity NPC73061
0.8611 High Similarity NPC26051
0.8611 High Similarity NPC268204
0.8611 High Similarity NPC55832
0.8611 High Similarity NPC40118
0.8611 High Similarity NPC126534
0.8611 High Similarity NPC232021
0.8611 High Similarity NPC52789
0.8601 High Similarity NPC99441
0.8601 High Similarity NPC49242
0.8601 High Similarity NPC181560
0.8601 High Similarity NPC169452
0.8601 High Similarity NPC472600
0.8601 High Similarity NPC165172
0.8601 High Similarity NPC155205
0.8601 High Similarity NPC472601
0.8601 High Similarity NPC295384
0.86 High Similarity NPC210942
0.86 High Similarity NPC169990
0.86 High Similarity NPC107109
0.86 High Similarity NPC93552
0.8592 High Similarity NPC472602
0.8592 High Similarity NPC116632
0.8592 High Similarity NPC173980
0.8592 High Similarity NPC9121
0.8592 High Similarity NPC94248
0.8592 High Similarity NPC177307
0.8592 High Similarity NPC209560
0.8592 High Similarity NPC181124
0.8592 High Similarity NPC162680
0.8592 High Similarity NPC212693
0.8592 High Similarity NPC7013
0.8592 High Similarity NPC472403
0.8592 High Similarity NPC294409
0.8592 High Similarity NPC303644
0.8591 High Similarity NPC149526
0.8591 High Similarity NPC258249
0.8591 High Similarity NPC232645
0.8591 High Similarity NPC72958
0.8591 High Similarity NPC474417
0.8591 High Similarity NPC478148
0.8582 High Similarity NPC60667
0.8582 High Similarity NPC234560
0.8582 High Similarity NPC315275
0.8582 High Similarity NPC39426
0.8581 High Similarity NPC80370
0.8571 High Similarity NPC166480
0.8571 High Similarity NPC34802
0.8571 High Similarity NPC259632

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC156872 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
0.8849 High Similarity NPD1509 Clinical (unspecified phase)
0.8794 High Similarity NPD970 Clinical (unspecified phase)
0.8582 High Similarity NPD1510 Phase 2
0.8311 Intermediate Similarity NPD2534 Approved
0.8311 Intermediate Similarity NPD2533 Approved
0.8311 Intermediate Similarity NPD2532 Approved
0.831 Intermediate Similarity NPD1607 Approved
0.8298 Intermediate Similarity NPD1240 Approved
0.8276 Intermediate Similarity NPD1549 Phase 2
0.8235 Intermediate Similarity NPD7819 Suspended
0.8207 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8207 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD1470 Approved
0.8188 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8121 Intermediate Similarity NPD1511 Approved
0.8069 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8042 Intermediate Similarity NPD943 Approved
0.8041 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.8041 Intermediate Similarity NPD3750 Approved
0.8039 Intermediate Similarity NPD4380 Phase 2
0.8038 Intermediate Similarity NPD6959 Discontinued
0.8014 Intermediate Similarity NPD2796 Approved
0.8013 Intermediate Similarity NPD1512 Approved
0.8 Intermediate Similarity NPD7390 Discontinued
0.8 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2801 Approved
0.7987 Intermediate Similarity NPD6232 Discontinued
0.7986 Intermediate Similarity NPD230 Phase 1
0.7985 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7973 Intermediate Similarity NPD2800 Approved
0.795 Intermediate Similarity NPD7473 Discontinued
0.7947 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD1934 Approved
0.7899 Intermediate Similarity NPD1201 Approved
0.7898 Intermediate Similarity NPD3882 Suspended
0.7834 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD1551 Phase 2
0.7756 Intermediate Similarity NPD7411 Suspended
0.7742 Intermediate Similarity NPD3226 Approved
0.7736 Intermediate Similarity NPD7075 Discontinued
0.7736 Intermediate Similarity NPD3749 Approved
0.7703 Intermediate Similarity NPD3748 Approved
0.7687 Intermediate Similarity NPD6651 Approved
0.7658 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD5710 Approved
0.7654 Intermediate Similarity NPD5711 Approved
0.7647 Intermediate Similarity NPD6799 Approved
0.7625 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD1243 Approved
0.7613 Intermediate Similarity NPD920 Approved
0.761 Intermediate Similarity NPD3817 Phase 2
0.7609 Intermediate Similarity NPD9545 Approved
0.7595 Intermediate Similarity NPD6801 Discontinued
0.758 Intermediate Similarity NPD6599 Discontinued
0.7576 Intermediate Similarity NPD3818 Discontinued
0.7566 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD7768 Phase 2
0.7561 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD6100 Approved
0.7533 Intermediate Similarity NPD6099 Approved
0.7533 Intermediate Similarity NPD5408 Approved
0.7533 Intermediate Similarity NPD5404 Approved
0.7533 Intermediate Similarity NPD2935 Discontinued
0.7533 Intermediate Similarity NPD5405 Approved
0.7533 Intermediate Similarity NPD5406 Approved
0.7531 Intermediate Similarity NPD5494 Approved
0.7484 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2344 Approved
0.7483 Intermediate Similarity NPD2346 Discontinued
0.7468 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD9493 Approved
0.7455 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD6166 Phase 2
0.7455 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7438 Intermediate Similarity NPD1465 Phase 2
0.7425 Intermediate Similarity NPD7054 Approved
0.7425 Intermediate Similarity NPD5844 Phase 1
0.7415 Intermediate Similarity NPD3764 Approved
0.7391 Intermediate Similarity NPD5402 Approved
0.7386 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7381 Intermediate Similarity NPD7472 Approved
0.7378 Intermediate Similarity NPD1247 Approved
0.7362 Intermediate Similarity NPD919 Approved
0.7343 Intermediate Similarity NPD9269 Phase 2
0.7337 Intermediate Similarity NPD5953 Discontinued
0.7337 Intermediate Similarity NPD6797 Phase 2
0.7321 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD9268 Approved
0.7297 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD7251 Discontinued
0.7294 Intermediate Similarity NPD6559 Discontinued
0.729 Intermediate Similarity NPD2309 Approved
0.7278 Intermediate Similarity NPD5403 Approved
0.7278 Intermediate Similarity NPD7074 Phase 3
0.7262 Intermediate Similarity NPD3751 Discontinued
0.7261 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD5401 Approved
0.7255 Intermediate Similarity NPD1471 Phase 3
0.7251 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD7808 Phase 3
0.7251 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD2799 Discontinued
0.7226 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD9717 Approved
0.7192 Intermediate Similarity NPD1164 Approved
0.7192 Intermediate Similarity NPD1203 Approved
0.7186 Intermediate Similarity NPD3926 Phase 2
0.7184 Intermediate Similarity NPD8150 Discontinued
0.7181 Intermediate Similarity NPD2313 Discontinued
0.7181 Intermediate Similarity NPD411 Approved
0.7161 Intermediate Similarity NPD2654 Approved
0.7153 Intermediate Similarity NPD422 Phase 1
0.7152 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD2798 Approved
0.7118 Intermediate Similarity NPD7286 Phase 2
0.7115 Intermediate Similarity NPD4628 Phase 3
0.7113 Intermediate Similarity NPD1548 Phase 1
0.7102 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD9494 Approved
0.7073 Intermediate Similarity NPD4288 Approved
0.7067 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7055 Intermediate Similarity NPD37 Approved
0.7055 Intermediate Similarity NPD4749 Approved
0.7048 Intermediate Similarity NPD6234 Discontinued
0.7039 Intermediate Similarity NPD6534 Approved
0.7039 Intermediate Similarity NPD6535 Approved
0.7035 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD1610 Phase 2
0.7033 Intermediate Similarity NPD6780 Approved
0.7033 Intermediate Similarity NPD6777 Approved
0.7033 Intermediate Similarity NPD6779 Approved
0.7033 Intermediate Similarity NPD6781 Approved
0.7033 Intermediate Similarity NPD6778 Approved
0.7033 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7033 Intermediate Similarity NPD6782 Approved
0.7033 Intermediate Similarity NPD6776 Approved
0.703 Intermediate Similarity NPD4965 Approved
0.703 Intermediate Similarity NPD4966 Approved
0.703 Intermediate Similarity NPD4967 Phase 2
0.7027 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD3300 Phase 2
0.7014 Intermediate Similarity NPD2932 Approved
0.7007 Intermediate Similarity NPD74 Approved
0.7007 Intermediate Similarity NPD9266 Approved
0.7006 Intermediate Similarity NPD8166 Discontinued
0.7005 Intermediate Similarity NPD8151 Discontinued
0.7 Intermediate Similarity NPD1241 Discontinued
0.7 Intermediate Similarity NPD4625 Phase 3
0.6975 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6962 Remote Similarity NPD6190 Approved
0.6957 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4750 Phase 3
0.6954 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6934 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6934 Remote Similarity NPD9267 Approved
0.6934 Remote Similarity NPD9263 Approved
0.6934 Remote Similarity NPD9264 Approved
0.6933 Remote Similarity NPD6832 Phase 2
0.6933 Remote Similarity NPD4908 Phase 1
0.6928 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7229 Phase 3
0.6923 Remote Similarity NPD7699 Phase 2
0.6923 Remote Similarity NPD7700 Phase 2
0.6919 Remote Similarity NPD7697 Approved
0.6919 Remote Similarity NPD7435 Discontinued
0.6919 Remote Similarity NPD7698 Approved
0.6919 Remote Similarity NPD7696 Phase 3
0.6914 Remote Similarity NPD8313 Approved
0.6914 Remote Similarity NPD8312 Approved
0.6903 Remote Similarity NPD4308 Phase 3
0.6903 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6899 Remote Similarity NPD7003 Approved
0.6897 Remote Similarity NPD3019 Approved
0.6897 Remote Similarity NPD3658 Clinical (unspecified phase)
0.6893 Remote Similarity NPD8434 Phase 2
0.6892 Remote Similarity NPD1283 Approved
0.6892 Remote Similarity NPD1876 Approved
0.6882 Remote Similarity NPD7871 Phase 2
0.6882 Remote Similarity NPD7870 Phase 2
0.6871 Remote Similarity NPD3972 Approved
0.6871 Remote Similarity NPD1608 Approved
0.6871 Remote Similarity NPD7458 Discontinued
0.6851 Remote Similarity NPD4360 Phase 2
0.6851 Remote Similarity NPD4363 Phase 3
0.6842 Remote Similarity NPD3268 Approved
0.6832 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6828 Remote Similarity NPD1651 Approved
0.6824 Remote Similarity NPD3787 Discontinued
0.6816 Remote Similarity NPD4287 Approved
0.6813 Remote Similarity NPD4361 Phase 2
0.6813 Remote Similarity NPD4362 Clinical (unspecified phase)
0.6807 Remote Similarity NPD5761 Phase 2
0.6807 Remote Similarity NPD5760 Phase 2
0.68 Remote Similarity NPD1019 Discontinued
0.6797 Remote Similarity NPD520 Approved
0.6796 Remote Similarity NPD6212 Phase 3

Structure

External Identifiers

PubChem CID   125571
ChEMBL   CHEMBL479229
ZINC  

Physicochemical Properties

Molecular Weight:  258.05
ALogP:  -1.0536
MLogP:  2.45
XLogP:  -0.092
# Rotatable Bonds:  3
Polar Surface Area:  83.83
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

Download Data

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