Natural Product: NPC469884

Natural Product ID:  NPC469884
Common Name:   2,3-Dihydro-5-Hydroxy-8-Methoxy-2,4-Dimethylnaphtho[1,2-B]Furan-6,9-Dione
IUPAC Name:   5-hydroxy-8-methoxy-2,4-dimethyl-2,3,5a,9a-tetrahydrobenzo[g][1]benzofuran-6,9-dione
Synonyms:  
Molecular Formula:   C15H16O5
Standard InCHIKey:  ODCNUGGVWGNXAV-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H16O5/c1-6-4-8-7(2)13(17)11-9(16)5-10(19-3)14(18)12(11)15(8)20-6/h5-6,11-12,17H,4H2,1-3H3
Canonical SMILES:  COC1=CC(=O)C2C(C1=O)C1=C(C(=C2O)C)CC(O1)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
NPO32910 fusarium spp. psu-f135 Species Nectriaceae Eukaryota PMID[20815366]
NPO7122 Fusarium solani Species Nectriaceae Eukaryota PMID[25163667]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 = 120000 nM 10.6019/CHEMBL1201861
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 352000 nM PubChem BioAssay data set
NPT2 Others Unspecified IC50 > 30000 nM 23368996
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 357000 nM 10924160
NPT2 Others Unspecified IC50 > 30000 nM 26264847
NPT165 Cell Line HeLa Homo sapiens IC50 > 30000 nM 26344590
NPT83 Cell Line MCF7 Homo sapiens IC50 = 101000 nM 23558238
NPT737 Cell Line HUVEC Homo sapiens IC50 > 30000 nM 18926711

  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 NPC469884 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
0.75 Intermediate Similarity NPC251429
0.7241 Intermediate Similarity NPC264391
0.7204 Intermediate Similarity NPC150063
0.7204 Intermediate Similarity NPC119740
0.71 Intermediate Similarity NPC469851
0.7041 Intermediate Similarity NPC318082
0.7011 Intermediate Similarity NPC26504
0.6979 Remote Similarity NPC146852
0.6961 Remote Similarity NPC320294
0.6952 Remote Similarity NPC20192
0.6952 Remote Similarity NPC23497
0.6932 Remote Similarity NPC473536
0.6923 Remote Similarity NPC139056
0.6923 Remote Similarity NPC199107
0.6923 Remote Similarity NPC232969
0.6916 Remote Similarity NPC66108
0.6915 Remote Similarity NPC473248
0.6915 Remote Similarity NPC23622
0.6907 Remote Similarity NPC61275
0.6905 Remote Similarity NPC94488
0.6887 Remote Similarity NPC472508
0.6882 Remote Similarity NPC470177
0.6867 Remote Similarity NPC298249
0.6857 Remote Similarity NPC472507
0.6852 Remote Similarity NPC321496
0.6852 Remote Similarity NPC326264
0.6842 Remote Similarity NPC53454
0.6837 Remote Similarity NPC477241
0.6827 Remote Similarity NPC469852
0.6813 Remote Similarity NPC474353
0.6809 Remote Similarity NPC291712
0.6809 Remote Similarity NPC203795
0.6804 Remote Similarity NPC32552
0.6792 Remote Similarity NPC38154
0.6782 Remote Similarity NPC147438
0.6778 Remote Similarity NPC475681
0.6774 Remote Similarity NPC219966
0.6771 Remote Similarity NPC87306
0.6768 Remote Similarity NPC279313
0.6768 Remote Similarity NPC31021
0.6733 Remote Similarity NPC475284
0.6733 Remote Similarity NPC300584
0.6733 Remote Similarity NPC281608
0.6706 Remote Similarity NPC474060
0.6702 Remote Similarity NPC263997
0.6702 Remote Similarity NPC132228
0.6702 Remote Similarity NPC32037
0.6702 Remote Similarity NPC8518
0.6701 Remote Similarity NPC469464
0.6701 Remote Similarity NPC274075
0.6701 Remote Similarity NPC473455
0.67 Remote Similarity NPC472733
0.67 Remote Similarity NPC472734
0.6699 Remote Similarity NPC291500
0.6699 Remote Similarity NPC189609
0.6699 Remote Similarity NPC303653
0.6699 Remote Similarity NPC140591
0.6699 Remote Similarity NPC197835
0.6667 Remote Similarity NPC153570
0.6667 Remote Similarity NPC248624
0.6667 Remote Similarity NPC243272
0.6667 Remote Similarity NPC478122
0.6637 Remote Similarity NPC478051
0.6636 Remote Similarity NPC261330
0.6636 Remote Similarity NPC250018
0.6634 Remote Similarity NPC472732
0.6634 Remote Similarity NPC472731
0.6634 Remote Similarity NPC239895
0.6633 Remote Similarity NPC32944
0.6633 Remote Similarity NPC166110
0.6633 Remote Similarity NPC193396
0.6632 Remote Similarity NPC261721
0.663 Remote Similarity NPC275766
0.6604 Remote Similarity NPC469853
0.6602 Remote Similarity NPC224172
0.66 Remote Similarity NPC91408
0.66 Remote Similarity NPC273197
0.66 Remote Similarity NPC234339
0.6598 Remote Similarity NPC142159
0.6598 Remote Similarity NPC95364
0.6596 Remote Similarity NPC163615
0.6596 Remote Similarity NPC38569
0.6593 Remote Similarity NPC291260
0.6591 Remote Similarity NPC122244
0.6591 Remote Similarity NPC264178
0.6588 Remote Similarity NPC263382
0.6588 Remote Similarity NPC146376
0.6588 Remote Similarity NPC125578
0.6574 Remote Similarity NPC210005
0.6569 Remote Similarity NPC472729
0.6569 Remote Similarity NPC472730
0.6569 Remote Similarity NPC153776
0.6569 Remote Similarity NPC177680
0.6569 Remote Similarity NPC35717
0.6566 Remote Similarity NPC248193
0.6559 Remote Similarity NPC47450
0.6556 Remote Similarity NPC283087
0.6542 Remote Similarity NPC264819
0.6535 Remote Similarity NPC299396
0.6535 Remote Similarity NPC301596
0.6535 Remote Similarity NPC135576
0.6535 Remote Similarity NPC279722
0.6535 Remote Similarity NPC93271
0.6535 Remote Similarity NPC172998
0.6531 Remote Similarity NPC316228
0.6531 Remote Similarity NPC131864
0.6526 Remote Similarity NPC471223
0.6526 Remote Similarity NPC281172
0.6526 Remote Similarity NPC187529
0.6526 Remote Similarity NPC241512
0.6526 Remote Similarity NPC130030
0.6526 Remote Similarity NPC67081
0.6526 Remote Similarity NPC90287
0.6526 Remote Similarity NPC6185
0.6526 Remote Similarity NPC155873
0.6514 Remote Similarity NPC207689
0.6512 Remote Similarity NPC262673
0.6505 Remote Similarity NPC472727
0.6505 Remote Similarity NPC104861
0.6505 Remote Similarity NPC472728
0.6495 Remote Similarity NPC476708
0.6489 Remote Similarity NPC475083
0.6486 Remote Similarity NPC247069
0.6481 Remote Similarity NPC471400
0.6476 Remote Similarity NPC131366
0.6476 Remote Similarity NPC271059
0.6476 Remote Similarity NPC25666
0.6471 Remote Similarity NPC20066
0.6471 Remote Similarity NPC273269
0.6471 Remote Similarity NPC473574
0.6471 Remote Similarity NPC471916
0.6471 Remote Similarity NPC27105
0.6471 Remote Similarity NPC20078
0.6465 Remote Similarity NPC472705
0.6465 Remote Similarity NPC303230
0.6465 Remote Similarity NPC6099
0.6465 Remote Similarity NPC327760
0.6465 Remote Similarity NPC114345
0.6458 Remote Similarity NPC278283
0.6452 Remote Similarity NPC67254
0.6452 Remote Similarity NPC99308
0.6444 Remote Similarity NPC110725
0.6442 Remote Similarity NPC146822
0.6442 Remote Similarity NPC181645
0.6442 Remote Similarity NPC207885
0.6442 Remote Similarity NPC112613
0.6437 Remote Similarity NPC107848
0.6437 Remote Similarity NPC94743
0.6437 Remote Similarity NPC291062
0.6436 Remote Similarity NPC12727
0.6436 Remote Similarity NPC295347
0.6436 Remote Similarity NPC214694
0.6429 Remote Similarity NPC280833
0.6429 Remote Similarity NPC118193
0.6429 Remote Similarity NPC256902
0.6422 Remote Similarity NPC99760
0.6422 Remote Similarity NPC321556
0.6421 Remote Similarity NPC469809
0.6421 Remote Similarity NPC32676
0.6415 Remote Similarity NPC272528
0.6415 Remote Similarity NPC40170
0.6413 Remote Similarity NPC19900
0.6413 Remote Similarity NPC27817
0.6408 Remote Similarity NPC166770
0.6408 Remote Similarity NPC472687
0.6408 Remote Similarity NPC471331
0.6408 Remote Similarity NPC99657
0.6408 Remote Similarity NPC203388
0.6408 Remote Similarity NPC471330
0.6404 Remote Similarity NPC259599
0.6404 Remote Similarity NPC294434
0.6404 Remote Similarity NPC15499
0.6404 Remote Similarity NPC117746
0.64 Remote Similarity NPC282644
0.64 Remote Similarity NPC29798
0.6392 Remote Similarity NPC38885
0.6392 Remote Similarity NPC471739
0.6392 Remote Similarity NPC476079
0.6392 Remote Similarity NPC241054
0.6392 Remote Similarity NPC142583
0.6392 Remote Similarity NPC103743
0.6392 Remote Similarity NPC472007
0.6392 Remote Similarity NPC113370
0.6389 Remote Similarity NPC327106
0.6383 Remote Similarity NPC38796
0.6383 Remote Similarity NPC158411
0.6383 Remote Similarity NPC103486
0.6381 Remote Similarity NPC163249
0.6381 Remote Similarity NPC474747
0.6381 Remote Similarity NPC478176
0.6381 Remote Similarity NPC235369
0.6374 Remote Similarity NPC473825
0.6374 Remote Similarity NPC97173
0.6374 Remote Similarity NPC82666
0.6373 Remote Similarity NPC94337
0.6373 Remote Similarity NPC272411
0.6373 Remote Similarity NPC473291
0.6372 Remote Similarity NPC471145
0.6364 Remote Similarity NPC475823
0.6364 Remote Similarity NPC474209

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469884 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
0.7222 Intermediate Similarity NPD6110 Phase 1
0.701 Intermediate Similarity NPD5282 Discontinued
0.6374 Remote Similarity NPD4756 Discovery
0.6353 Remote Similarity NPD3704 Approved
0.6344 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6289 Remote Similarity NPD5279 Phase 3
0.6263 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6101 Approved
0.6238 Remote Similarity NPD5779 Approved
0.6238 Remote Similarity NPD5778 Approved
0.619 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6186 Remote Similarity NPD1696 Phase 3
0.617 Remote Similarity NPD4695 Discontinued
0.6139 Remote Similarity NPD6411 Approved
0.6117 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6042 Remote Similarity NPD5209 Approved
0.5977 Remote Similarity NPD6108 Clinical (unspecified phase)
0.5976 Remote Similarity NPD8779 Phase 3
0.5962 Remote Similarity NPD5695 Phase 3
0.5943 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5941 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5929 Remote Similarity NPD6649 Approved
0.5929 Remote Similarity NPD6650 Approved
0.5922 Remote Similarity NPD6399 Phase 3
0.5905 Remote Similarity NPD4697 Phase 3
0.5893 Remote Similarity NPD6373 Approved
0.5893 Remote Similarity NPD6372 Approved
0.5876 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5859 Remote Similarity NPD5363 Approved
0.5856 Remote Similarity NPD5697 Approved
0.5856 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5825 Remote Similarity NPD7983 Approved
0.5825 Remote Similarity NPD7637 Suspended
0.5804 Remote Similarity NPD6881 Approved
0.5804 Remote Similarity NPD6011 Approved
0.5804 Remote Similarity NPD6899 Approved
0.58 Remote Similarity NPD4249 Approved
0.58 Remote Similarity NPD4694 Approved
0.58 Remote Similarity NPD3574 Clinical (unspecified phase)
0.58 Remote Similarity NPD5786 Approved
0.58 Remote Similarity NPD5280 Approved
0.5798 Remote Similarity NPD6319 Approved
0.5798 Remote Similarity NPD6054 Approved
0.5794 Remote Similarity NPD5696 Approved
0.5789 Remote Similarity NPD7601 Clinical (unspecified phase)
0.5773 Remote Similarity NPD5369 Approved
0.5766 Remote Similarity NPD5739 Approved
0.5766 Remote Similarity NPD7128 Approved
0.5766 Remote Similarity NPD6402 Approved
0.5766 Remote Similarity NPD6675 Approved
0.5755 Remote Similarity NPD5222 Approved
0.5755 Remote Similarity NPD5221 Approved
0.5755 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5752 Remote Similarity NPD6014 Approved
0.5752 Remote Similarity NPD6012 Approved
0.5752 Remote Similarity NPD6013 Approved
0.575 Remote Similarity NPD6016 Approved
0.575 Remote Similarity NPD6015 Approved
0.5743 Remote Similarity NPD4250 Approved
0.5743 Remote Similarity NPD4251 Approved
0.5741 Remote Similarity NPD5286 Approved
0.5741 Remote Similarity NPD4696 Approved
0.5741 Remote Similarity NPD5285 Approved
0.5728 Remote Similarity NPD5692 Phase 3
0.5728 Remote Similarity NPD5785 Approved
0.5714 Remote Similarity NPD5701 Approved
0.5714 Remote Similarity NPD7260 Phase 2
0.5702 Remote Similarity NPD6883 Approved
0.5702 Remote Similarity NPD4634 Approved
0.5702 Remote Similarity NPD5988 Approved
0.5702 Remote Similarity NPD6370 Approved
0.5702 Remote Similarity NPD7290 Approved
0.5702 Remote Similarity NPD7102 Approved
0.5701 Remote Similarity NPD6083 Phase 2
0.5701 Remote Similarity NPD7902 Approved
0.5701 Remote Similarity NPD6084 Phase 2
0.5701 Remote Similarity NPD4755 Approved
0.5701 Remote Similarity NPD5173 Approved
0.57 Remote Similarity NPD1694 Approved
0.5688 Remote Similarity NPD5223 Approved
0.5686 Remote Similarity NPD5737 Approved
0.5686 Remote Similarity NPD6672 Approved
0.5673 Remote Similarity NPD6050 Approved
0.5673 Remote Similarity NPD5281 Approved
0.5673 Remote Similarity NPD5284 Approved
0.5673 Remote Similarity NPD5694 Approved
0.567 Remote Similarity NPD4252 Approved
0.5667 Remote Similarity NPD6059 Approved
0.5664 Remote Similarity NPD7320 Approved
0.566 Remote Similarity NPD4629 Approved
0.566 Remote Similarity NPD5210 Approved
0.5652 Remote Similarity NPD6869 Approved
0.5652 Remote Similarity NPD6847 Approved
0.5652 Remote Similarity NPD6617 Approved
0.5652 Remote Similarity NPD8130 Phase 1
0.5648 Remote Similarity NPD4225 Approved
0.5644 Remote Similarity NPD5690 Phase 2
0.5644 Remote Similarity NPD3618 Phase 1
0.5636 Remote Similarity NPD5226 Approved
0.5636 Remote Similarity NPD5224 Approved
0.5636 Remote Similarity NPD5225 Approved
0.5636 Remote Similarity NPD4633 Approved
0.5636 Remote Similarity NPD5211 Phase 2
0.5631 Remote Similarity NPD4753 Phase 2
0.5625 Remote Similarity NPD3617 Approved
0.5618 Remote Similarity NPD7331 Phase 2
0.561 Remote Similarity NPD7492 Approved
0.5603 Remote Similarity NPD8297 Approved
0.5603 Remote Similarity NPD6882 Approved
0.5603 Remote Similarity NPD6053 Discontinued
0.56 Remote Similarity NPD3666 Approved
0.56 Remote Similarity NPD3133 Approved
0.56 Remote Similarity NPD3665 Phase 1

Structure

External Identifiers

PubChem CID   49866312
ChEMBL   CHEMBL1224815
ZINC  

Physicochemical Properties

Molecular Weight:  276.10
ALogP:  -0.8688
MLogP:  2.56
XLogP:  -0.045
# Rotatable Bonds:  5
Polar Surface Area:  72.83
# H-Bond Aceptor:  5
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  20

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Biological Activities  
Similar NPs/Drugs