Natural Product: NPC109007

Natural Product ID:  NPC109007
Common Name:   Dehydroherbarin
IUPAC Name:   7,9-dimethoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione
Synonyms:   Dehydroherbarin
Molecular Formula:   C16H14O5
Standard InCHIKey:  ITUSOEBAIVROCD-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C16H14O5/c1-8-4-10-12(7-21-8)16(18)14-11(15(10)17)5-9(19-2)6-13(14)20-3/h4-6H,7H2,1-3H3
Canonical SMILES:  COc1cc(OC)c2c(c1)C(=O)C1=C(C2=O)COC(=C1)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
NPO32926 corynespora sp. Species Corynesporascaceae Eukaryota PMID[17988097]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC25 = 2.2 nM 22647719
NPT2 Others Unspecified IC50 = 3500 nM 22647719

  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 NPC109007 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
0.9779 High Similarity NPC215451
0.9779 High Similarity NPC277369
0.9424 High Similarity NPC475201
0.9275 High Similarity NPC156872
0.922 High Similarity NPC49282
0.9214 High Similarity NPC167663
0.9034 High Similarity NPC216917
0.9014 High Similarity NPC19896
0.9014 High Similarity NPC189650
0.9007 High Similarity NPC297985
0.8973 High Similarity NPC46882
0.8973 High Similarity NPC132990
0.8958 High Similarity NPC312929
0.8958 High Similarity NPC190648
0.8958 High Similarity NPC126767
0.8958 High Similarity NPC289042
0.8958 High Similarity NPC245584
0.8958 High Similarity NPC56433
0.8958 High Similarity NPC118027
0.8912 High Similarity NPC154683
0.8912 High Similarity NPC40356
0.8905 High Similarity NPC182428
0.8904 High Similarity NPC290954
0.8904 High Similarity NPC470568
0.8904 High Similarity NPC255641
0.8904 High Similarity NPC474660
0.8904 High Similarity NPC147735
0.8897 High Similarity NPC472056
0.8881 High Similarity NPC184702
0.8873 High Similarity NPC471644
0.8873 High Similarity NPC471640
0.8859 High Similarity NPC472050
0.8851 High Similarity NPC155686
0.8844 High Similarity NPC470569
0.8841 High Similarity NPC223354
0.8828 High Similarity NPC52106
0.8819 High Similarity NPC28632
0.8786 High Similarity NPC254741
0.8784 High Similarity NPC470340
0.8776 High Similarity NPC473466
0.8776 High Similarity NPC295036
0.8776 High Similarity NPC294646
0.8767 High Similarity NPC27221
0.8767 High Similarity NPC256672
0.8767 High Similarity NPC7025
0.8741 High Similarity NPC49852
0.8741 High Similarity NPC49108
0.8741 High Similarity NPC475496
0.8725 High Similarity NPC214632
0.8725 High Similarity NPC208806
0.8716 High Similarity NPC230848
0.8714 High Similarity NPC242712
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 NPC100985
0.8707 High Similarity NPC65775
0.8705 High Similarity NPC292998
0.8699 High Similarity NPC123202
0.8699 High Similarity NPC7943
0.8699 High Similarity NPC22005
0.8699 High Similarity NPC474999
0.8696 High Similarity NPC284424
0.8696 High Similarity NPC278556
0.8681 High Similarity NPC472006
0.8681 High Similarity NPC471643
0.8681 High Similarity NPC476054
0.8681 High Similarity NPC310340
0.8681 High Similarity NPC471639
0.8676 High Similarity NPC473907
0.8675 High Similarity NPC263483
0.8671 High Similarity NPC101366
0.8671 High Similarity NPC171094
0.8671 High Similarity NPC253822
0.8662 High Similarity NPC25427
0.8662 High Similarity NPC90665
0.8662 High Similarity NPC309154
0.8662 High Similarity NPC279668
0.8662 High Similarity NPC278323
0.8662 High Similarity NPC55162
0.8662 High Similarity NPC57380
0.8662 High Similarity NPC12175
0.8652 High Similarity NPC135837
0.8652 High Similarity NPC284184
0.8652 High Similarity NPC301341
0.8652 High Similarity NPC193792
0.8649 High Similarity NPC202595
0.8643 High Similarity NPC125269
0.8639 High Similarity NPC2569
0.8639 High Similarity NPC153417
0.8639 High Similarity NPC172329
0.8633 High Similarity NPC101294
0.8633 High Similarity NPC473655
0.863 High Similarity NPC470570
0.863 High Similarity NPC472033
0.863 High Similarity NPC473927
0.8621 High Similarity NPC193703
0.8621 High Similarity NPC48762
0.8621 High Similarity NPC21599
0.8621 High Similarity NPC470932
0.8613 High Similarity NPC211120
0.8613 High Similarity NPC473894
0.8611 High Similarity NPC185607
0.8611 High Similarity NPC94076
0.8611 High Similarity NPC182255
0.8611 High Similarity NPC55832
0.8611 High Similarity NPC268204
0.8611 High Similarity NPC26051
0.8611 High Similarity NPC469579
0.8611 High Similarity NPC52789
0.8611 High Similarity NPC40118
0.8611 High Similarity NPC126534
0.8611 High Similarity NPC232021
0.8601 High Similarity NPC49242
0.8601 High Similarity NPC469523
0.8601 High Similarity NPC136095
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
0.8593 High Similarity NPC65041
0.8592 High Similarity NPC116632
0.8592 High Similarity NPC303644
0.8592 High Similarity NPC209560
0.8592 High Similarity NPC181124
0.8592 High Similarity NPC46947
0.8592 High Similarity NPC162680
0.8592 High Similarity NPC212767
0.8592 High Similarity NPC7013
0.8592 High Similarity NPC294409
0.8591 High Similarity NPC149526
0.8591 High Similarity NPC72958
0.8591 High Similarity NPC258249
0.8591 High Similarity NPC474417
0.8591 High Similarity NPC478148
0.8591 High Similarity NPC232645
0.8582 High Similarity NPC46869
0.8582 High Similarity NPC182646
0.8581 High Similarity NPC77325
0.8581 High Similarity NPC134293
0.8581 High Similarity NPC80370
0.8581 High Similarity NPC84142
0.8581 High Similarity NPC4423
0.8571 High Similarity NPC34802
0.8571 High Similarity NPC259632
0.8571 High Similarity NPC1249
0.8562 High Similarity NPC471590
0.8562 High Similarity NPC476055
0.8562 High Similarity NPC179970
0.8562 High Similarity NPC313368
0.8562 High Similarity NPC136278
0.8562 High Similarity NPC312789
0.8562 High Similarity NPC472034
0.8562 High Similarity NPC34482
0.8553 High Similarity NPC201127
0.8553 High Similarity NPC246466
0.8552 High Similarity NPC3732
0.8552 High Similarity NPC84266
0.8543 High Similarity NPC66508
0.8543 High Similarity NPC226656
0.8542 High Similarity NPC265178
0.8542 High Similarity NPC172250
0.8542 High Similarity NPC67650
0.8542 High Similarity NPC90411
0.8542 High Similarity NPC215311
0.8542 High Similarity NPC48624
0.8542 High Similarity NPC259166
0.8542 High Similarity NPC219917
0.8542 High Similarity NPC80962
0.8542 High Similarity NPC213659
0.8542 High Similarity NPC326109
0.8542 High Similarity NPC204985
0.8542 High Similarity NPC1704
0.8542 High Similarity NPC144118
0.8542 High Similarity NPC275734
0.8533 High Similarity NPC470337
0.8533 High Similarity NPC180944
0.8533 High Similarity NPC51824
0.8533 High Similarity NPC87708
0.8533 High Similarity NPC268992
0.8533 High Similarity NPC113608
0.8533 High Similarity NPC470338
0.8533 High Similarity NPC175978
0.8531 High Similarity NPC92655
0.8531 High Similarity NPC268052
0.8523 High Similarity NPC470107
0.8523 High Similarity NPC164762
0.8523 High Similarity NPC85131
0.8521 High Similarity NPC161196
0.8521 High Similarity NPC235428
0.8521 High Similarity NPC473391
0.8521 High Similarity NPC268081
0.8521 High Similarity NPC472364
0.8521 High Similarity NPC476333
0.8521 High Similarity NPC87545
0.8521 High Similarity NPC472367

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC109007 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
0.8662 High Similarity NPD970 Clinical (unspecified phase)
0.8652 High Similarity NPD2796 Approved
0.8477 Intermediate Similarity NPD7819 Suspended
0.8451 Intermediate Similarity NPD1510 Phase 2
0.8322 Intermediate Similarity NPD3748 Approved
0.8311 Intermediate Similarity NPD2534 Approved
0.8311 Intermediate Similarity NPD2533 Approved
0.8311 Intermediate Similarity NPD2532 Approved
0.8194 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8188 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1607 Approved
0.8169 Intermediate Similarity NPD1240 Approved
0.8151 Intermediate Similarity NPD1549 Phase 2
0.8095 Intermediate Similarity NPD1243 Approved
0.8089 Intermediate Similarity NPD5494 Approved
0.8082 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8082 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8079 Intermediate Similarity NPD920 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
0.8 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD2801 Approved
0.8 Intermediate Similarity NPD1511 Approved
0.8 Intermediate Similarity NPD6799 Approved
0.7987 Intermediate Similarity NPD6232 Discontinued
0.7973 Intermediate Similarity NPD2800 Approved
0.795 Intermediate Similarity NPD7473 Discontinued
0.7949 Intermediate Similarity NPD3817 Phase 2
0.7947 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7935 Intermediate Similarity NPD1934 Approved
0.7933 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7922 Intermediate Similarity NPD6599 Discontinued
0.7898 Intermediate Similarity NPD3882 Suspended
0.7895 Intermediate Similarity NPD1512 Approved
0.7885 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7871 Intermediate Similarity NPD7411 Suspended
0.7857 Intermediate Similarity NPD3226 Approved
0.7834 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7821 Intermediate Similarity NPD6801 Discontinued
0.7812 Intermediate Similarity NPD1247 Approved
0.7799 Intermediate Similarity NPD919 Approved
0.7736 Intermediate Similarity NPD7075 Discontinued
0.7736 Intermediate Similarity NPD3749 Approved
0.7733 Intermediate Similarity NPD2654 Approved
0.7718 Intermediate Similarity NPD2346 Discontinued
0.7718 Intermediate Similarity NPD1471 Phase 3
0.7716 Intermediate Similarity NPD3926 Phase 2
0.7687 Intermediate Similarity NPD6651 Approved
0.7654 Intermediate Similarity NPD5710 Approved
0.7654 Intermediate Similarity NPD5711 Approved
0.7651 Intermediate Similarity NPD1551 Phase 2
0.7625 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.761 Intermediate Similarity NPD5402 Approved
0.7597 Intermediate Similarity NPD5401 Approved
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)
0.7552 Intermediate Similarity NPD1470 Approved
0.7534 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD6100 Approved
0.7533 Intermediate Similarity NPD2935 Discontinued
0.7533 Intermediate Similarity NPD6099 Approved
0.7532 Intermediate Similarity NPD7390 Discontinued
0.753 Intermediate Similarity NPD5844 Phase 1
0.7518 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7517 Intermediate Similarity NPD6832 Phase 2
0.75 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1241 Discontinued
0.75 Intermediate Similarity NPD5403 Approved
0.75 Intermediate Similarity NPD2798 Approved
0.75 Intermediate Similarity NPD230 Phase 1
0.75 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD1876 Approved
0.7483 Intermediate Similarity NPD2344 Approved
0.7467 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7467 Intermediate Similarity NPD2799 Discontinued
0.7465 Intermediate Similarity NPD3972 Approved
0.7455 Intermediate Similarity NPD6166 Phase 2
0.7455 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD943 Approved
0.7425 Intermediate Similarity NPD7054 Approved
0.7415 Intermediate Similarity NPD2313 Discontinued
0.7381 Intermediate Similarity NPD7472 Approved
0.7365 Intermediate Similarity NPD3751 Discontinued
0.7353 Intermediate Similarity NPD1609 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7337 Intermediate Similarity NPD5953 Discontinued
0.7337 Intermediate Similarity NPD6797 Phase 2
0.7329 Intermediate Similarity NPD1465 Phase 2
0.7321 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7314 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD5691 Approved
0.7305 Intermediate Similarity NPD1651 Approved
0.7294 Intermediate Similarity NPD7251 Discontinued
0.7294 Intermediate Similarity NPD6559 Discontinued
0.729 Intermediate Similarity NPD2309 Approved
0.7284 Intermediate Similarity NPD4288 Approved
0.7278 Intermediate Similarity NPD7074 Phase 3
0.7273 Intermediate Similarity NPD1201 Approved
0.726 Intermediate Similarity NPD1019 Discontinued
0.7251 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7251 Intermediate Similarity NPD7808 Phase 3
0.7251 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD2403 Approved
0.7226 Intermediate Similarity NPD4628 Phase 3
0.7222 Intermediate Similarity NPD9717 Approved
0.72 Intermediate Similarity NPD4307 Phase 2
0.7192 Intermediate Similarity NPD3267 Approved
0.7192 Intermediate Similarity NPD3266 Approved
0.7181 Intermediate Similarity NPD411 Approved
0.7181 Intermediate Similarity NPD1296 Phase 2
0.7178 Intermediate Similarity NPD5353 Approved
0.716 Intermediate Similarity NPD37 Approved
0.716 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD1281 Approved
0.7152 Intermediate Similarity NPD1933 Approved
0.7152 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD447 Suspended
0.7143 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD4966 Approved
0.7134 Intermediate Similarity NPD4965 Approved
0.7134 Intermediate Similarity NPD4967 Phase 2
0.7133 Intermediate Similarity NPD17 Approved
0.7126 Intermediate Similarity NPD7229 Phase 3
0.7118 Intermediate Similarity NPD7286 Phase 2
0.7113 Intermediate Similarity NPD9545 Approved
0.7102 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7086 Intermediate Similarity NPD2979 Phase 3
0.7083 Intermediate Similarity NPD5242 Approved
0.7081 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD5408 Approved
0.7078 Intermediate Similarity NPD5405 Approved
0.7078 Intermediate Similarity NPD5406 Approved
0.7078 Intermediate Similarity NPD5404 Approved
0.7075 Intermediate Similarity NPD1203 Approved
0.7067 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD3764 Approved
0.7055 Intermediate Similarity NPD4749 Approved
0.7055 Intermediate Similarity NPD6280 Approved
0.7055 Intermediate Similarity NPD6279 Approved
0.7048 Intermediate Similarity NPD6234 Discontinued
0.7035 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD422 Phase 1
0.7033 Intermediate Similarity NPD6780 Approved
0.7033 Intermediate Similarity NPD6776 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
0.7024 Intermediate Similarity NPD3787 Discontinued
0.7014 Intermediate Similarity NPD4626 Approved
0.7014 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD4308 Phase 3
0.7007 Intermediate Similarity NPD1283 Approved
0.7006 Intermediate Similarity NPD7003 Approved
0.7005 Intermediate Similarity NPD8151 Discontinued
0.7 Intermediate Similarity NPD6273 Approved
0.7 Intermediate Similarity NPD4625 Phase 3
0.6993 Remote Similarity NPD1548 Phase 1
0.6989 Remote Similarity NPD8434 Phase 2
0.6986 Remote Similarity NPD1608 Approved
0.698 Remote Similarity NPD9494 Approved
0.6975 Remote Similarity NPD7458 Discontinued
0.6974 Remote Similarity NPD3142 Approved
0.6974 Remote Similarity NPD3140 Approved
0.6972 Remote Similarity NPD9493 Approved
0.6968 Remote Similarity NPD2438 Suspended
0.6964 Remote Similarity NPD7199 Phase 2
0.6954 Remote Similarity NPD3268 Approved
0.6954 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6951 Remote Similarity NPD6844 Discontinued
0.6941 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6937 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6933 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6933 Remote Similarity NPD4908 Phase 1
0.6923 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6923 Remote Similarity NPD6808 Phase 2
0.6919 Remote Similarity NPD7698 Approved
0.6919 Remote Similarity NPD7697 Approved
0.6919 Remote Similarity NPD7435 Discontinued
0.6919 Remote Similarity NPD7696 Phase 3
0.6918 Remote Similarity NPD1610 Phase 2
0.6914 Remote Similarity NPD8312 Approved
0.6914 Remote Similarity NPD8313 Approved
0.6909 Remote Similarity NPD5761 Phase 2
0.6909 Remote Similarity NPD5760 Phase 2
0.6908 Remote Similarity NPD8032 Phase 2
0.6903 Remote Similarity NPD7033 Discontinued
0.6897 Remote Similarity NPD3658 Clinical (unspecified phase)
0.6893 Remote Similarity NPD8150 Discontinued
0.689 Remote Similarity NPD6385 Approved

Structure

External Identifiers

PubChem CID   11833010
ChEMBL   CHEMBL400327
ZINC  

Physicochemical Properties

Molecular Weight:  286.08
ALogP:  -0.2366
MLogP:  2.67
XLogP:  0.946
# Rotatable Bonds:  5
Polar Surface Area:  61.83
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  21

Download Data

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