Natural Product: NPC281172

Natural Product ID:  NPC281172
Common Name:   Trichoflectin
IUPAC Name:   (6aS)-9-acetyl-6a-methyl-3-[(E)-prop-1-enyl]furo[2,3-h]isochromene-6,8-dione
Synonyms:   Trichoflectin
Molecular Formula:   C17H14O5
Standard InCHIKey:  QBKJTHVGHONHOD-LAQIPUCWSA-N
Standard InCHI:  InChI=1S/C17H14O5/c1-4-5-11-6-10-7-13(19)17(3)15(12(10)8-21-11)14(9(2)18)16(20)22-17/h4-8H,1-3H3/b5-4+/t17-/m1/s1
Canonical SMILES:  C/C=C/C1=CC2=CC(=O)[C@@]3(C(=C(C(=O)C)C(=O)O3)C2=CO1)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
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
NPT2526 Organism Rhizomucor miehei Rhizomucor miehei IZ = 23 mm 18816139
NPT79 Organism Bacillus subtilis Bacillus subtilis IZ = 23 mm 18816139
NPT6284 Organism Lachnellula Lachnellula IZ = 19 mm 24044895

  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 NPC281172 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
0.939 High Similarity NPC291712
0.9294 High Similarity NPC193396
0.9294 High Similarity NPC32944
0.9286 High Similarity NPC142159
0.9286 High Similarity NPC95364
0.908 High Similarity NPC143210
0.907 High Similarity NPC166110
0.8977 High Similarity NPC12727
0.8966 High Similarity NPC248193
0.8851 High Similarity NPC32552
0.8523 High Similarity NPC224270
0.8298 Intermediate Similarity NPC469851
0.8152 Intermediate Similarity NPC471698
0.8132 Intermediate Similarity NPC282644
0.8132 Intermediate Similarity NPC29798
0.8125 Intermediate Similarity NPC271059
0.8125 Intermediate Similarity NPC25666
0.8061 Intermediate Similarity NPC232969
0.8061 Intermediate Similarity NPC199107
0.7959 Intermediate Similarity NPC469852
0.7872 Intermediate Similarity NPC318082
0.7766 Intermediate Similarity NPC31021
0.77 Intermediate Similarity NPC469853
0.7677 Intermediate Similarity NPC272528
0.7647 Intermediate Similarity NPC471225
0.7624 Intermediate Similarity NPC327106
0.7596 Intermediate Similarity NPC321496
0.759 Intermediate Similarity NPC287878
0.7551 Intermediate Similarity NPC471699
0.7439 Intermediate Similarity NPC470693
0.7396 Intermediate Similarity NPC295347
0.7363 Intermediate Similarity NPC307112
0.7333 Intermediate Similarity NPC16488
0.7284 Intermediate Similarity NPC191233
0.7262 Intermediate Similarity NPC133098
0.7245 Intermediate Similarity NPC208094
0.7241 Intermediate Similarity NPC473825
0.7234 Intermediate Similarity NPC280833
0.7222 Intermediate Similarity NPC268122
0.7204 Intermediate Similarity NPC103743
0.7204 Intermediate Similarity NPC476079
0.7204 Intermediate Similarity NPC113370
0.72 Intermediate Similarity NPC224172
0.7174 Intermediate Similarity NPC130030
0.716 Intermediate Similarity NPC220766
0.7159 Intermediate Similarity NPC475699
0.7143 Intermediate Similarity NPC288281
0.7143 Intermediate Similarity NPC118423
0.7143 Intermediate Similarity NPC475083
0.7128 Intermediate Similarity NPC475902
0.7108 Intermediate Similarity NPC477117
0.7097 Intermediate Similarity NPC315395
0.7097 Intermediate Similarity NPC168248
0.7097 Intermediate Similarity NPC316426
0.7093 Intermediate Similarity NPC122244
0.7093 Intermediate Similarity NPC470686
0.7079 Intermediate Similarity NPC471299
0.7079 Intermediate Similarity NPC473980
0.7079 Intermediate Similarity NPC473981
0.7064 Intermediate Similarity NPC243298
0.7045 Intermediate Similarity NPC68156
0.7033 Intermediate Similarity NPC475690
0.7021 Intermediate Similarity NPC125925
0.701 Intermediate Similarity NPC1108
0.6989 Remote Similarity NPC67081
0.6989 Remote Similarity NPC471223
0.6988 Remote Similarity NPC203335
0.6979 Remote Similarity NPC475879
0.6979 Remote Similarity NPC274075
0.6979 Remote Similarity NPC213636
0.6979 Remote Similarity NPC469372
0.6979 Remote Similarity NPC131864
0.6979 Remote Similarity NPC280592
0.6979 Remote Similarity NPC253177
0.6977 Remote Similarity NPC12815
0.6977 Remote Similarity NPC215745
0.6977 Remote Similarity NPC238948
0.697 Remote Similarity NPC172998
0.697 Remote Similarity NPC299396
0.697 Remote Similarity NPC301596
0.6966 Remote Similarity NPC99182
0.6966 Remote Similarity NPC264391
0.6962 Remote Similarity NPC133600
0.6951 Remote Similarity NPC182794
0.6951 Remote Similarity NPC470688
0.6951 Remote Similarity NPC133904
0.6947 Remote Similarity NPC26078
0.6947 Remote Similarity NPC473658
0.6947 Remote Similarity NPC469628
0.6947 Remote Similarity NPC472302
0.6947 Remote Similarity NPC471047
0.6947 Remote Similarity NPC469631
0.6947 Remote Similarity NPC475906
0.6947 Remote Similarity NPC196407
0.6947 Remote Similarity NPC469653
0.6939 Remote Similarity NPC38830
0.6937 Remote Similarity NPC245320
0.6932 Remote Similarity NPC27205
0.6931 Remote Similarity NPC54705
0.6923 Remote Similarity NPC42470
0.6923 Remote Similarity NPC275507
0.6915 Remote Similarity NPC472863
0.6915 Remote Similarity NPC472009
0.6915 Remote Similarity NPC38576
0.6915 Remote Similarity NPC261721
0.6915 Remote Similarity NPC279859
0.6907 Remote Similarity NPC471329
0.6907 Remote Similarity NPC296114
0.69 Remote Similarity NPC134083
0.6893 Remote Similarity NPC473144
0.6893 Remote Similarity NPC297281
0.6889 Remote Similarity NPC271632
0.6889 Remote Similarity NPC150646
0.6887 Remote Similarity NPC23497
0.6875 Remote Similarity NPC51358
0.6875 Remote Similarity NPC284561
0.6875 Remote Similarity NPC473145
0.6875 Remote Similarity NPC476815
0.6875 Remote Similarity NPC31641
0.6875 Remote Similarity NPC307092
0.6869 Remote Similarity NPC273197
0.6869 Remote Similarity NPC234339
0.6869 Remote Similarity NPC209355
0.6857 Remote Similarity NPC266514
0.6854 Remote Similarity NPC316324
0.6854 Remote Similarity NPC97173
0.6854 Remote Similarity NPC180290
0.6848 Remote Similarity NPC471326
0.6848 Remote Similarity NPC221231
0.6848 Remote Similarity NPC94200
0.6842 Remote Similarity NPC472007
0.6837 Remote Similarity NPC476598
0.6837 Remote Similarity NPC476597
0.6832 Remote Similarity NPC264378
0.6832 Remote Similarity NPC35717
0.6824 Remote Similarity NPC232812
0.6822 Remote Similarity NPC89408
0.6818 Remote Similarity NPC329826
0.6818 Remote Similarity NPC469414
0.6813 Remote Similarity NPC160582
0.6809 Remote Similarity NPC189311
0.6809 Remote Similarity NPC155873
0.6804 Remote Similarity NPC469595
0.6804 Remote Similarity NPC212679
0.6804 Remote Similarity NPC220454
0.6792 Remote Similarity NPC264819
0.6789 Remote Similarity NPC326264
0.6786 Remote Similarity NPC21998
0.6778 Remote Similarity NPC471220
0.6778 Remote Similarity NPC315765
0.6778 Remote Similarity NPC469510
0.6774 Remote Similarity NPC193198
0.6771 Remote Similarity NPC472008
0.6771 Remote Similarity NPC241507
0.6768 Remote Similarity NPC476596
0.6768 Remote Similarity NPC477241
0.6765 Remote Similarity NPC215253
0.6765 Remote Similarity NPC185253
0.6747 Remote Similarity NPC476589
0.6744 Remote Similarity NPC315285
0.6744 Remote Similarity NPC64234
0.6744 Remote Similarity NPC472017
0.6744 Remote Similarity NPC37929
0.6742 Remote Similarity NPC51391
0.6742 Remote Similarity NPC4492
0.6742 Remote Similarity NPC123360
0.6737 Remote Similarity NPC234038
0.6737 Remote Similarity NPC203795
0.6735 Remote Similarity NPC472705
0.6735 Remote Similarity NPC45579
0.6733 Remote Similarity NPC239895
0.6733 Remote Similarity NPC53844
0.6731 Remote Similarity NPC118902
0.6731 Remote Similarity NPC104161
0.6731 Remote Similarity NPC469980
0.6729 Remote Similarity NPC137911
0.6729 Remote Similarity NPC228477
0.6706 Remote Similarity NPC470256
0.6706 Remote Similarity NPC134385
0.6705 Remote Similarity NPC117746
0.6705 Remote Similarity NPC15499
0.6705 Remote Similarity NPC476355
0.6705 Remote Similarity NPC294434
0.6705 Remote Similarity NPC259599
0.6705 Remote Similarity NPC474758
0.6703 Remote Similarity NPC471740
0.6703 Remote Similarity NPC178277
0.6702 Remote Similarity NPC474359
0.6702 Remote Similarity NPC38569
0.6702 Remote Similarity NPC30486
0.6702 Remote Similarity NPC163615
0.6702 Remote Similarity NPC31086
0.6701 Remote Similarity NPC78008
0.6701 Remote Similarity NPC474844
0.6699 Remote Similarity NPC168319
0.6699 Remote Similarity NPC194028
0.6699 Remote Similarity NPC469657
0.6699 Remote Similarity NPC244456
0.6697 Remote Similarity NPC66108
0.6696 Remote Similarity NPC315974

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC281172 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
0.6854 Remote Similarity NPD4756 Discovery
0.6848 Remote Similarity NPD5209 Approved
0.6444 Remote Similarity NPD8039 Approved
0.64 Remote Similarity NPD5693 Phase 1
0.64 Remote Similarity NPD5694 Approved
0.6316 Remote Similarity NPD4752 Clinical (unspecified phase)
0.63 Remote Similarity NPD5692 Phase 3
0.6289 Remote Similarity NPD1694 Approved
0.6279 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6277 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6672 Approved
0.6263 Remote Similarity NPD5737 Approved
0.6238 Remote Similarity NPD6050 Approved
0.6216 Remote Similarity NPD2067 Discontinued
0.6186 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6163 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6098 Remote Similarity NPD8779 Phase 3
0.6058 Remote Similarity NPD5695 Phase 3
0.6047 Remote Similarity NPD5325 Clinical (unspecified phase)
0.604 Remote Similarity NPD6904 Approved
0.604 Remote Similarity NPD6080 Approved
0.604 Remote Similarity NPD6673 Approved
0.6034 Remote Similarity NPD7115 Discovery
0.6019 Remote Similarity NPD5779 Approved
0.6019 Remote Similarity NPD5778 Approved
0.598 Remote Similarity NPD5785 Approved
0.5962 Remote Similarity NPD5282 Discontinued
0.5943 Remote Similarity NPD6084 Phase 2
0.5943 Remote Similarity NPD6083 Phase 2
0.5918 Remote Similarity NPD7154 Phase 3
0.5909 Remote Similarity NPD3704 Approved
0.5905 Remote Similarity NPD5654 Approved
0.5888 Remote Similarity NPD5696 Approved
0.5882 Remote Similarity NPD6101 Approved
0.5882 Remote Similarity NPD5764 Clinical (unspecified phase)
0.5842 Remote Similarity NPD1282 Approved
0.5826 Remote Similarity NPD6053 Discontinued
0.5825 Remote Similarity NPD5207 Approved
0.5812 Remote Similarity NPD690 Clinical (unspecified phase)
0.5804 Remote Similarity NPD5697 Approved
0.58 Remote Similarity NPD1696 Phase 3
0.58 Remote Similarity NPD5363 Approved
0.5794 Remote Similarity NPD5959 Approved
0.5773 Remote Similarity NPD4252 Approved
0.5769 Remote Similarity NPD6411 Approved
0.5769 Remote Similarity NPD7637 Suspended
0.5758 Remote Similarity NPD6110 Phase 1
0.5755 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5752 Remote Similarity NPD6899 Approved
0.5752 Remote Similarity NPD6011 Approved
0.5752 Remote Similarity NPD6881 Approved
0.5743 Remote Similarity NPD7521 Approved
0.5743 Remote Similarity NPD5330 Approved
0.5743 Remote Similarity NPD6098 Approved
0.5743 Remote Similarity NPD7334 Approved
0.5743 Remote Similarity NPD6409 Approved
0.5743 Remote Similarity NPD7146 Approved
0.5743 Remote Similarity NPD6684 Approved
0.5741 Remote Similarity NPD8029 Clinical (unspecified phase)
0.5741 Remote Similarity NPD4225 Approved
0.5728 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7128 Approved
0.5714 Remote Similarity NPD6675 Approved
0.5714 Remote Similarity NPD5739 Approved
0.5714 Remote Similarity NPD6402 Approved
0.5714 Remote Similarity NPD5369 Approved
0.5702 Remote Similarity NPD6013 Approved
0.5702 Remote Similarity NPD6012 Approved
0.5702 Remote Similarity NPD6014 Approved
0.5702 Remote Similarity NPD8513 Phase 3
0.5686 Remote Similarity NPD3573 Approved
0.5673 Remote Similarity NPD46 Approved
0.5673 Remote Similarity NPD6698 Approved
0.5664 Remote Similarity NPD7899 Clinical (unspecified phase)
0.5664 Remote Similarity NPD5701 Approved
0.5657 Remote Similarity NPD4269 Approved
0.5657 Remote Similarity NPD4270 Approved
0.5652 Remote Similarity NPD6883 Approved
0.5652 Remote Similarity NPD7290 Approved
0.5652 Remote Similarity NPD7102 Approved
0.5631 Remote Similarity NPD7513 Clinical (unspecified phase)
0.5631 Remote Similarity NPD6903 Approved
0.5619 Remote Similarity NPD5284 Approved
0.5619 Remote Similarity NPD7983 Approved
0.5619 Remote Similarity NPD5281 Approved
0.5614 Remote Similarity NPD7320 Approved
0.5603 Remote Similarity NPD6649 Approved
0.5603 Remote Similarity NPD6650 Approved
0.5603 Remote Similarity NPD6617 Approved
0.5603 Remote Similarity NPD6869 Approved
0.5603 Remote Similarity NPD6847 Approved
0.5603 Remote Similarity NPD8130 Phase 1

Structure

External Identifiers

PubChem CID   6442235
ChEMBL   CHEMBL476920
ZINC  

Physicochemical Properties

Molecular Weight:  298.08
ALogP:  0.3133
MLogP:  2.78
XLogP:  1.233
# Rotatable Bonds:  5
Polar Surface Area:  69.67
# H-Bond Aceptor:  5
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  22

Download Data

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Similar NPs/Drugs