Natural Product: NPC89131

Natural Product ID:  NPC89131
Common Name:   Methylinoscavin C
IUPAC Name:   3-acetyl-2-(3,4-dihydroxyphenyl)-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]furo[3,2-c]pyran-4-one
Synonyms:   Methylinoscavin C
Molecular Formula:   C24H18O8
Standard InCHIKey:  LWDOBNFZTXHPQD-ZZXKWVIFSA-N
Standard InCHI:  InChI=1S/C24H18O8/c1-12(25)21-22-20(32-23(21)14-5-8-16(26)18(28)10-14)11-15(31-24(22)29)6-3-13-4-7-17(27)19(9-13)30-2/h3-11,26-28H,1-2H3/b6-3+
Canonical SMILES:  COc1cc(/C=C/c2oc(=O)c3c(c2)oc(c3C(=O)C)c2ccc(c(c2)O)O)ccc1O
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
NPO33057 Inonotus xeranticus Species Hymenochaetaceae Eukaryota PMID[16488146]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity IC50 > 100000 nM 10571160
NPT1 Others Radical scavenging activity IC50 = 12300 nM 15006398
NPT1 Others Radical scavenging activity IC50 > 100000 nM 17428663

  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 NPC89131 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
0.9805 High Similarity NPC300680
0.9264 High Similarity NPC247964
0.9193 High Similarity NPC29411
0.9146 High Similarity NPC47386
0.9091 High Similarity NPC261471
0.908 High Similarity NPC86477
0.9068 High Similarity NPC312056
0.9068 High Similarity NPC84515
0.9006 High Similarity NPC188486
0.8982 High Similarity NPC164384
0.8976 High Similarity NPC37606
0.897 High Similarity NPC218533
0.897 High Similarity NPC78830
0.8951 High Similarity NPC272722
0.8929 High Similarity NPC297807
0.8896 High Similarity NPC133065
0.8882 High Similarity NPC16935
0.8882 High Similarity NPC196879
0.8862 High Similarity NPC473834
0.8862 High Similarity NPC310794
0.8861 High Similarity NPC267091
0.8855 High Similarity NPC131866
0.8848 High Similarity NPC186392
0.8848 High Similarity NPC50394
0.8848 High Similarity NPC247973
0.8841 High Similarity NPC39306
0.8841 High Similarity NPC291110
0.8841 High Similarity NPC36320
0.8841 High Similarity NPC45449
0.8824 High Similarity NPC47883
0.8824 High Similarity NPC475996
0.8824 High Similarity NPC97523
0.8817 High Similarity NPC98546
0.8812 High Similarity NPC80489
0.8805 High Similarity NPC60972
0.8805 High Similarity NPC39732
0.8802 High Similarity NPC174700
0.8797 High Similarity NPC243891
0.8788 High Similarity NPC277480
0.878 High Similarity NPC1755
0.878 High Similarity NPC263092
0.878 High Similarity NPC59295
0.878 High Similarity NPC39305
0.878 High Similarity NPC1706
0.8758 High Similarity NPC472461
0.8758 High Similarity NPC45131
0.875 High Similarity NPC476640
0.875 High Similarity NPC82217
0.875 High Similarity NPC216842
0.8736 High Similarity NPC295436
0.8727 High Similarity NPC37183
0.8726 High Similarity NPC472969
0.872 High Similarity NPC144843
0.872 High Similarity NPC238995
0.8712 High Similarity NPC260296
0.8712 High Similarity NPC115432
0.8712 High Similarity NPC130955
0.8704 High Similarity NPC299520
0.8704 High Similarity NPC129684
0.8698 High Similarity NPC287243
0.8696 High Similarity NPC208197
0.8696 High Similarity NPC167815
0.8696 High Similarity NPC128863
0.8696 High Similarity NPC4455
0.8696 High Similarity NPC146165
0.8696 High Similarity NPC92659
0.8696 High Similarity NPC196439
0.8696 High Similarity NPC227325
0.8696 High Similarity NPC2476
0.8696 High Similarity NPC280339
0.8696 High Similarity NPC20830
0.8696 High Similarity NPC183597
0.8696 High Similarity NPC256612
0.8696 High Similarity NPC163780
0.8696 High Similarity NPC201136
0.8696 High Similarity NPC138360
0.8696 High Similarity NPC50715
0.8696 High Similarity NPC268008
0.869 High Similarity NPC54098
0.869 High Similarity NPC230619
0.8683 High Similarity NPC280493
0.8671 High Similarity NPC98809
0.8671 High Similarity NPC476394
0.8667 High Similarity NPC173729
0.8667 High Similarity NPC272750
0.8667 High Similarity NPC223006
0.8667 High Similarity NPC477689
0.8667 High Similarity NPC134047
0.8659 High Similarity NPC469889
0.865 High Similarity NPC244750
0.8647 High Similarity NPC8127
0.8647 High Similarity NPC49667
0.8647 High Similarity NPC24258
0.8642 High Similarity NPC265511
0.8642 High Similarity NPC54928
0.8642 High Similarity NPC472455
0.8639 High Similarity NPC233956
0.8636 High Similarity NPC326065
0.8634 High Similarity NPC287504
0.8634 High Similarity NPC231018
0.8634 High Similarity NPC274327
0.8634 High Similarity NPC47781
0.8634 High Similarity NPC75279
0.8634 High Similarity NPC160951
0.8634 High Similarity NPC69394
0.8634 High Similarity NPC183878
0.8634 High Similarity NPC255350
0.8634 High Similarity NPC22519
0.8634 High Similarity NPC25127
0.8634 High Similarity NPC176775
0.8634 High Similarity NPC145379
0.8634 High Similarity NPC276409
0.8634 High Similarity NPC250822
0.8631 High Similarity NPC476641
0.8631 High Similarity NPC120220
0.8625 High Similarity NPC75695
0.8623 High Similarity NPC470704
0.8621 High Similarity NPC248315
0.8616 High Similarity NPC183950
0.8616 High Similarity NPC52005
0.8616 High Similarity NPC287101
0.8616 High Similarity NPC137062
0.8616 High Similarity NPC223579
0.8616 High Similarity NPC177298
0.8616 High Similarity NPC48479
0.8614 High Similarity NPC38914
0.8614 High Similarity NPC88243
0.8614 High Similarity NPC204088
0.8614 High Similarity NPC472277
0.8614 High Similarity NPC259007
0.8614 High Similarity NPC329215
0.8613 High Similarity NPC154527
0.8606 High Similarity NPC81679
0.8606 High Similarity NPC144557
0.8606 High Similarity NPC76687
0.8598 High Similarity NPC47623
0.8598 High Similarity NPC328102
0.8598 High Similarity NPC476980
0.8598 High Similarity NPC472961
0.8598 High Similarity NPC53889
0.8598 High Similarity NPC472962
0.8589 High Similarity NPC224137
0.8589 High Similarity NPC75215
0.8589 High Similarity NPC35598
0.8589 High Similarity NPC189179
0.8589 High Similarity NPC227192
0.8589 High Similarity NPC93376
0.8589 High Similarity NPC222689
0.8588 High Similarity NPC290304
0.8588 High Similarity NPC227906
0.8588 High Similarity NPC236327
0.858 High Similarity NPC255807
0.858 High Similarity NPC57674
0.858 High Similarity NPC213622
0.858 High Similarity NPC230149
0.858 High Similarity NPC99199
0.858 High Similarity NPC168247
0.858 High Similarity NPC117992
0.858 High Similarity NPC31018
0.858 High Similarity NPC152951
0.858 High Similarity NPC158226
0.858 High Similarity NPC472584
0.858 High Similarity NPC472280
0.858 High Similarity NPC234255
0.8571 High Similarity NPC295646
0.8571 High Similarity NPC25270
0.8571 High Similarity NPC187498
0.8571 High Similarity NPC156222
0.8571 High Similarity NPC471982
0.8571 High Similarity NPC257648
0.8571 High Similarity NPC289968
0.8571 High Similarity NPC212678
0.8571 High Similarity NPC41326
0.8571 High Similarity NPC120163
0.8571 High Similarity NPC142540
0.8571 High Similarity NPC83508
0.8571 High Similarity NPC477231
0.8571 High Similarity NPC100887
0.8571 High Similarity NPC301323
0.8571 High Similarity NPC293183
0.8571 High Similarity NPC288813
0.8571 High Similarity NPC275722
0.8571 High Similarity NPC241498
0.8571 High Similarity NPC275836
0.8571 High Similarity NPC239128
0.8571 High Similarity NPC125300
0.8571 High Similarity NPC188203
0.8571 High Similarity NPC198826
0.8571 High Similarity NPC256283
0.8571 High Similarity NPC222830
0.8571 High Similarity NPC57030
0.8571 High Similarity NPC162313
0.8571 High Similarity NPC207624
0.8571 High Similarity NPC71334
0.8571 High Similarity NPC55205
0.8571 High Similarity NPC131624
0.8571 High Similarity NPC247136
0.8571 High Similarity NPC202470
0.8563 High Similarity NPC226725
0.8563 High Similarity NPC235610

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC89131 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
0.8634 High Similarity NPD2801 Approved
0.8623 High Similarity NPD3818 Discontinued
0.8528 High Similarity NPD3882 Suspended
0.8494 Intermediate Similarity NPD6232 Discontinued
0.8466 Intermediate Similarity NPD3817 Phase 2
0.8457 Intermediate Similarity NPD1934 Approved
0.8452 Intermediate Similarity NPD7473 Discontinued
0.8443 Intermediate Similarity NPD3926 Phase 2
0.8415 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.8302 Intermediate Similarity NPD1511 Approved
0.8293 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.8284 Intermediate Similarity NPD6166 Phase 2
0.8284 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.8269 Intermediate Similarity NPD2344 Approved
0.8199 Intermediate Similarity NPD1512 Approved
0.8182 Intermediate Similarity NPD1465 Phase 2
0.8161 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.8148 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.8144 Intermediate Similarity NPD3749 Approved
0.814 Intermediate Similarity NPD7054 Approved
0.8103 Intermediate Similarity NPD6559 Discontinued
0.8095 Intermediate Similarity NPD919 Approved
0.8092 Intermediate Similarity NPD7074 Phase 3
0.8092 Intermediate Similarity NPD7472 Approved
0.8075 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8063 Intermediate Similarity NPD2309 Approved
0.8047 Intermediate Similarity NPD5494 Approved
0.8036 Intermediate Similarity NPD7075 Discontinued
0.7964 Intermediate Similarity NPD7819 Suspended
0.7943 Intermediate Similarity NPD6797 Phase 2
0.7943 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD5844 Phase 1
0.7929 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7904 Intermediate Similarity NPD6801 Discontinued
0.7898 Intermediate Similarity NPD7251 Discontinued
0.7895 Intermediate Similarity NPD1247 Approved
0.7892 Intermediate Similarity NPD4380 Phase 2
0.7889 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7888 Intermediate Similarity NPD4628 Phase 3
0.7857 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7853 Intermediate Similarity NPD7808 Phase 3
0.7853 Intermediate Similarity NPD6799 Approved
0.7844 Intermediate Similarity NPD7411 Suspended
0.7834 Intermediate Similarity NPD447 Suspended
0.7831 Intermediate Similarity NPD3226 Approved
0.7818 Intermediate Similarity NPD920 Approved
0.7811 Intermediate Similarity NPD5402 Approved
0.7805 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7797 Intermediate Similarity NPD7685 Pre-registration
0.7784 Intermediate Similarity NPD6599 Discontinued
0.7778 Intermediate Similarity NPD8434 Phase 2
0.7759 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD2935 Discontinued
0.7722 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7722 Intermediate Similarity NPD230 Phase 1
0.7716 Intermediate Similarity NPD1243 Approved
0.7716 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD1510 Phase 2
0.7688 Intermediate Similarity NPD7199 Phase 2
0.7674 Intermediate Similarity NPD6234 Discontinued
0.7669 Intermediate Similarity NPD3750 Approved
0.7661 Intermediate Similarity NPD7768 Phase 2
0.7654 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD1549 Phase 2
0.764 Intermediate Similarity NPD2796 Approved
0.7622 Intermediate Similarity NPD6190 Approved
0.7605 Intermediate Similarity NPD5403 Approved
0.7602 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.76 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7593 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.759 Intermediate Similarity NPD2532 Approved
0.759 Intermediate Similarity NPD2533 Approved
0.759 Intermediate Similarity NPD2534 Approved
0.7586 Intermediate Similarity NPD6959 Discontinued
0.7578 Intermediate Similarity NPD2799 Discontinued
0.7576 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7547 Intermediate Similarity NPD943 Approved
0.7547 Intermediate Similarity NPD1240 Approved
0.7532 Intermediate Similarity NPD3764 Approved
0.7532 Intermediate Similarity NPD2313 Discontinued
0.7532 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2800 Approved
0.75 Intermediate Similarity NPD2296 Approved
0.75 Intermediate Similarity NPD1933 Approved
0.7485 Intermediate Similarity NPD37 Approved
0.7485 Intermediate Similarity NPD5401 Approved
0.7485 Intermediate Similarity NPD2346 Discontinued
0.7472 Intermediate Similarity NPD7893 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD4967 Phase 2
0.7457 Intermediate Similarity NPD4966 Approved
0.7457 Intermediate Similarity NPD4965 Approved
0.7453 Intermediate Similarity NPD1607 Approved
0.7452 Intermediate Similarity NPD9494 Approved
0.7443 Intermediate Similarity NPD6808 Phase 2
0.7419 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7418 Intermediate Similarity NPD8313 Approved
0.7418 Intermediate Similarity NPD8312 Approved
0.7381 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD1471 Phase 3
0.7374 Intermediate Similarity NPD7228 Approved
0.7362 Intermediate Similarity NPD3748 Approved
0.7355 Intermediate Similarity NPD1608 Approved
0.7349 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7348 Intermediate Similarity NPD5953 Discontinued
0.7326 Intermediate Similarity NPD6386 Approved
0.7326 Intermediate Similarity NPD6385 Approved
0.7325 Intermediate Similarity NPD1203 Approved
0.7317 Intermediate Similarity NPD1551 Phase 2
0.7312 Intermediate Similarity NPD3268 Approved
0.7303 Intermediate Similarity NPD5242 Approved
0.7296 Intermediate Similarity NPD6832 Phase 2
0.7283 Intermediate Similarity NPD6280 Approved
0.7283 Intermediate Similarity NPD6279 Approved
0.7278 Intermediate Similarity NPD3751 Discontinued
0.7273 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD7033 Discontinued
0.7251 Intermediate Similarity NPD1653 Approved
0.725 Intermediate Similarity NPD3027 Phase 3
0.7219 Intermediate Similarity NPD4287 Approved
0.7215 Intermediate Similarity NPD2797 Approved
0.7205 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD8127 Discontinued
0.7188 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7176 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD2798 Approved
0.7169 Intermediate Similarity NPD7266 Discontinued
0.7161 Intermediate Similarity NPD17 Approved
0.716 Intermediate Similarity NPD6233 Phase 2
0.7152 Intermediate Similarity NPD4308 Phase 3
0.7152 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD7229 Phase 3
0.715 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD7286 Phase 2
0.7143 Intermediate Similarity NPD4110 Phase 3
0.7143 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD9269 Phase 2
0.7134 Intermediate Similarity NPD9717 Approved
0.7125 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD8151 Discontinued
0.712 Intermediate Similarity NPD7038 Approved
0.712 Intermediate Similarity NPD7039 Approved
0.7117 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD1613 Approved
0.7112 Intermediate Similarity NPD8150 Discontinued
0.711 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD5408 Approved
0.7108 Intermediate Similarity NPD5405 Approved
0.7108 Intermediate Similarity NPD5404 Approved
0.7108 Intermediate Similarity NPD5406 Approved
0.7101 Intermediate Similarity NPD2354 Approved
0.7099 Intermediate Similarity NPD6798 Discontinued
0.7083 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7081 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7078 Intermediate Similarity NPD5536 Phase 2
0.7073 Intermediate Similarity NPD6355 Discontinued
0.7056 Intermediate Similarity NPD5710 Approved
0.7056 Intermediate Similarity NPD5711 Approved
0.7056 Intermediate Similarity NPD3787 Discontinued
0.7048 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD8455 Phase 2
0.7045 Intermediate Similarity NPD1006 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD5761 Phase 2
0.7045 Intermediate Similarity NPD5760 Phase 2
0.7041 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD8166 Discontinued
0.7041 Intermediate Similarity NPD7435 Discontinued
0.7037 Intermediate Similarity NPD7095 Approved
0.7035 Intermediate Similarity NPD6273 Approved
0.7032 Intermediate Similarity NPD9545 Approved
0.7025 Intermediate Similarity NPD3972 Approved
0.7018 Intermediate Similarity NPD7390 Discontinued
0.7011 Intermediate Similarity NPD7458 Discontinued
0.7006 Intermediate Similarity NPD5353 Approved
0.7 Intermediate Similarity NPD3267 Approved
0.7 Intermediate Similarity NPD3266 Approved
0.6995 Remote Similarity NPD2163 Approved
0.6994 Remote Similarity NPD411 Approved
0.6978 Remote Similarity NPD4575 Clinical (unspecified phase)
0.6974 Remote Similarity NPD6778 Approved
0.6974 Remote Similarity NPD6776 Approved
0.6974 Remote Similarity NPD6782 Approved
0.6974 Remote Similarity NPD6780 Approved
0.6974 Remote Similarity NPD6777 Approved
0.6974 Remote Similarity NPD6779 Approved
0.6974 Remote Similarity NPD6781 Approved
0.6965 Remote Similarity NPD7783 Phase 2
0.6965 Remote Similarity NPD7782 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7003 Approved
0.6937 Remote Similarity NPD3225 Approved
0.6937 Remote Similarity NPD1876 Approved
0.6935 Remote Similarity NPD7240 Approved
0.6928 Remote Similarity NPD6651 Approved
0.6927 Remote Similarity NPD6971 Discontinued

Structure

External Identifiers

PubChem CID   44410486
ChEMBL   CHEMBL205444
ZINC  

Physicochemical Properties

Molecular Weight:  434.10
ALogP:  -1.443
MLogP:  3.22
XLogP:  2.948
# Rotatable Bonds:  10
Polar Surface Area:  126.43
# H-Bond Aceptor:  3
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  32

Download Data

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Biological Activities  
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