Natural Product: NPC477300

Natural Product ID:  NPC477300
Common Name:   Inoscavin B
IUPAC Name:   (3Z)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[(3,4-dihydroxyphenyl)methylidene]-2-methoxy-2-methylfuro[3,2-c]pyran-4-one
Synonyms:  
Molecular Formula:   C24H20O8
Standard InCHIKey:  RNGFLTFOEGMRRY-PGODXZJGSA-N
Standard InCHI:  InChI=1S/C24H20O8/c1-24(30-2)16(9-14-5-8-18(26)20(28)11-14)22-21(32-24)12-15(31-23(22)29)6-3-13-4-7-17(25)19(27)10-13/h3-12,25-28H,1-2H3/b6-3+,16-9-
Canonical SMILES:  COC1(C)Oc2c(/C/1=C/c1ccc(c(c1)O)O)c(=O)oc(c2)/C=C/c1ccc(c(c1)O)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
NPO33057 Inonotus xeranticus Species Hymenochaetaceae Eukaryota chonan-si, Korea 2005-APR PMID[16499338]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified IC50 = 95000 nM 16499338

  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 NPC477300 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
0.9531 High Similarity NPC311742
0.9531 High Similarity NPC477301
0.9355 High Similarity NPC67951
0.935 High Similarity NPC306100
0.928 High Similarity NPC118584
0.92 High Similarity NPC197832
0.9194 High Similarity NPC285345
0.8846 High Similarity NPC285361
0.8837 High Similarity NPC46192
0.8769 High Similarity NPC208536
0.8769 High Similarity NPC64111
0.8692 High Similarity NPC167463
0.8672 High Similarity NPC288945
0.8613 High Similarity NPC9218
0.8594 High Similarity NPC212541
0.8525 High Similarity NPC131530
0.8519 High Similarity NPC476870
0.8504 High Similarity NPC470848
0.8504 High Similarity NPC470849
0.8492 Intermediate Similarity NPC241634
0.8492 Intermediate Similarity NPC141791
0.8492 Intermediate Similarity NPC263386
0.8467 Intermediate Similarity NPC220942
0.8421 Intermediate Similarity NPC217052
0.8421 Intermediate Similarity NPC329344
0.8421 Intermediate Similarity NPC237506
0.8421 Intermediate Similarity NPC32626
0.8413 Intermediate Similarity NPC275519
0.84 Intermediate Similarity NPC281277
0.8387 Intermediate Similarity NPC328593
0.8387 Intermediate Similarity NPC33749
0.8387 Intermediate Similarity NPC261453
0.8385 Intermediate Similarity NPC246704
0.8358 Intermediate Similarity NPC318799
0.8357 Intermediate Similarity NPC285550
0.8333 Intermediate Similarity NPC65791
0.8321 Intermediate Similarity NPC90431
0.8321 Intermediate Similarity NPC289459
0.8321 Intermediate Similarity NPC470572
0.832 Intermediate Similarity NPC474967
0.832 Intermediate Similarity NPC233669
0.8309 Intermediate Similarity NPC34293
0.8309 Intermediate Similarity NPC106406
0.8309 Intermediate Similarity NPC287597
0.8309 Intermediate Similarity NPC886
0.8306 Intermediate Similarity NPC95381
0.8298 Intermediate Similarity NPC183824
0.8296 Intermediate Similarity NPC473285
0.8295 Intermediate Similarity NPC147654
0.8293 Intermediate Similarity NPC226250
0.8286 Intermediate Similarity NPC296643
0.8286 Intermediate Similarity NPC52664
0.8281 Intermediate Similarity NPC2058
0.8273 Intermediate Similarity NPC191280
0.8268 Intermediate Similarity NPC309434
0.8268 Intermediate Similarity NPC203124
0.8258 Intermediate Similarity NPC120225
0.8258 Intermediate Similarity NPC213552
0.8258 Intermediate Similarity NPC276014
0.8235 Intermediate Similarity NPC155209
0.8235 Intermediate Similarity NPC168799
0.8235 Intermediate Similarity NPC254398
0.8222 Intermediate Similarity NPC219677
0.8214 Intermediate Similarity NPC282291
0.8214 Intermediate Similarity NPC166137
0.8209 Intermediate Similarity NPC229784
0.8209 Intermediate Similarity NPC477294
0.8209 Intermediate Similarity NPC83062
0.8209 Intermediate Similarity NPC477293
0.8207 Intermediate Similarity NPC32197
0.8203 Intermediate Similarity NPC70084
0.8201 Intermediate Similarity NPC328273
0.8201 Intermediate Similarity NPC81515
0.8201 Intermediate Similarity NPC321184
0.8201 Intermediate Similarity NPC476383
0.8201 Intermediate Similarity NPC64141
0.8201 Intermediate Similarity NPC68092
0.8201 Intermediate Similarity NPC472350
0.8201 Intermediate Similarity NPC321638
0.8201 Intermediate Similarity NPC171134
0.8201 Intermediate Similarity NPC197316
0.8201 Intermediate Similarity NPC89105
0.8189 Intermediate Similarity NPC610
0.8189 Intermediate Similarity NPC175799
0.8189 Intermediate Similarity NPC200988
0.8189 Intermediate Similarity NPC145023
0.8188 Intermediate Similarity NPC471872
0.8188 Intermediate Similarity NPC154485
0.8175 Intermediate Similarity NPC300776
0.8175 Intermediate Similarity NPC68779
0.8175 Intermediate Similarity NPC5310
0.8175 Intermediate Similarity NPC176814
0.8175 Intermediate Similarity NPC4982
0.8175 Intermediate Similarity NPC471883
0.8169 Intermediate Similarity NPC110063
0.8168 Intermediate Similarity NPC229084
0.8168 Intermediate Similarity NPC106659
0.8168 Intermediate Similarity NPC160900
0.8168 Intermediate Similarity NPC18984
0.8163 Intermediate Similarity NPC44730
0.8162 Intermediate Similarity NPC25581
0.8162 Intermediate Similarity NPC473924
0.8162 Intermediate Similarity NPC18074
0.8162 Intermediate Similarity NPC5419
0.8162 Intermediate Similarity NPC61
0.8156 Intermediate Similarity NPC140502
0.8156 Intermediate Similarity NPC157816
0.8154 Intermediate Similarity NPC472271
0.8143 Intermediate Similarity NPC475530
0.8143 Intermediate Similarity NPC473799
0.8138 Intermediate Similarity NPC478242
0.8134 Intermediate Similarity NPC110313
0.8134 Intermediate Similarity NPC232880
0.8129 Intermediate Similarity NPC78363
0.8129 Intermediate Similarity NPC279676
0.8129 Intermediate Similarity NPC67349
0.8129 Intermediate Similarity NPC260425
0.8125 Intermediate Similarity NPC86198
0.8125 Intermediate Similarity NPC311091
0.8125 Intermediate Similarity NPC471033
0.812 Intermediate Similarity NPC303680
0.812 Intermediate Similarity NPC147192
0.812 Intermediate Similarity NPC84076
0.812 Intermediate Similarity NPC475695
0.812 Intermediate Similarity NPC90128
0.8116 Intermediate Similarity NPC123988
0.8116 Intermediate Similarity NPC113295
0.8112 Intermediate Similarity NPC216819
0.8112 Intermediate Similarity NPC83743
0.8112 Intermediate Similarity NPC262182
0.8112 Intermediate Similarity NPC287615
0.8099 Intermediate Similarity NPC478239
0.8099 Intermediate Similarity NPC192831
0.8099 Intermediate Similarity NPC277315
0.8099 Intermediate Similarity NPC43158
0.8099 Intermediate Similarity NPC472016
0.8099 Intermediate Similarity NPC258469
0.8095 Intermediate Similarity NPC217472
0.8095 Intermediate Similarity NPC203664
0.8088 Intermediate Similarity NPC198388
0.8085 Intermediate Similarity NPC476385
0.8085 Intermediate Similarity NPC186406
0.8085 Intermediate Similarity NPC134405
0.8085 Intermediate Similarity NPC47471
0.8085 Intermediate Similarity NPC476377
0.8082 Intermediate Similarity NPC69367
0.808 Intermediate Similarity NPC51698
0.8077 Intermediate Similarity NPC471877
0.8077 Intermediate Similarity NPC224814
0.8077 Intermediate Similarity NPC14007
0.8077 Intermediate Similarity NPC189844
0.8077 Intermediate Similarity NPC158949
0.8077 Intermediate Similarity NPC60962
0.8077 Intermediate Similarity NPC109083
0.8077 Intermediate Similarity NPC204466
0.8077 Intermediate Similarity NPC269843
0.8074 Intermediate Similarity NPC94810
0.8074 Intermediate Similarity NPC241354
0.8071 Intermediate Similarity NPC205195
0.8071 Intermediate Similarity NPC226005
0.8069 Intermediate Similarity NPC1580
0.8062 Intermediate Similarity NPC470214
0.8062 Intermediate Similarity NPC109371
0.8062 Intermediate Similarity NPC470215
0.806 Intermediate Similarity NPC476873
0.806 Intermediate Similarity NPC123228
0.806 Intermediate Similarity NPC5018
0.806 Intermediate Similarity NPC123722
0.806 Intermediate Similarity NPC151167
0.806 Intermediate Similarity NPC276466
0.8058 Intermediate Similarity NPC157554
0.8058 Intermediate Similarity NPC120852
0.8045 Intermediate Similarity NPC132921
0.8045 Intermediate Similarity NPC280767
0.8043 Intermediate Similarity NPC135127
0.8043 Intermediate Similarity NPC248150
0.8042 Intermediate Similarity NPC141455
0.8042 Intermediate Similarity NPC470130
0.8042 Intermediate Similarity NPC296954
0.8042 Intermediate Similarity NPC300894
0.8042 Intermediate Similarity NPC196063
0.803 Intermediate Similarity NPC14141
0.803 Intermediate Similarity NPC477152
0.8028 Intermediate Similarity NPC471027
0.8028 Intermediate Similarity NPC222433
0.8028 Intermediate Similarity NPC91546
0.8028 Intermediate Similarity NPC477335
0.8028 Intermediate Similarity NPC35702
0.8028 Intermediate Similarity NPC206095
0.8028 Intermediate Similarity NPC297517
0.8028 Intermediate Similarity NPC265648
0.8028 Intermediate Similarity NPC224389
0.8028 Intermediate Similarity NPC13818
0.8016 Intermediate Similarity NPC148969
0.8015 Intermediate Similarity NPC70752
0.8014 Intermediate Similarity NPC288452
0.8014 Intermediate Similarity NPC471875
0.8014 Intermediate Similarity NPC476820
0.8014 Intermediate Similarity NPC274891
0.8014 Intermediate Similarity NPC156709

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477300 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
0.8201 Intermediate Similarity NPD7266 Discontinued
0.8168 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7972 Intermediate Similarity NPD6190 Approved
0.7655 Intermediate Similarity NPD8166 Discontinued
0.7634 Intermediate Similarity NPD5536 Phase 2
0.7589 Intermediate Similarity NPD230 Phase 1
0.7559 Intermediate Similarity NPD3022 Approved
0.7559 Intermediate Similarity NPD3021 Approved
0.7548 Intermediate Similarity NPD6234 Discontinued
0.7469 Intermediate Similarity NPD7685 Pre-registration
0.7417 Intermediate Similarity NPD1653 Approved
0.741 Intermediate Similarity NPD9494 Approved
0.7338 Intermediate Similarity NPD37 Approved
0.7329 Intermediate Similarity NPD3818 Discontinued
0.7308 Intermediate Similarity NPD4967 Phase 2
0.7308 Intermediate Similarity NPD4966 Approved
0.7308 Intermediate Similarity NPD4965 Approved
0.7308 Intermediate Similarity NPD228 Approved
0.7308 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD7095 Approved
0.729 Intermediate Similarity NPD2801 Approved
0.726 Intermediate Similarity NPD2935 Discontinued
0.7259 Intermediate Similarity NPD1357 Approved
0.7255 Intermediate Similarity NPD3455 Phase 2
0.7254 Intermediate Similarity NPD3764 Approved
0.7237 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7228 Approved
0.7212 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD6233 Phase 2
0.7186 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD3027 Phase 3
0.7178 Intermediate Similarity NPD7054 Approved
0.7174 Intermediate Similarity NPD9269 Phase 2
0.7163 Intermediate Similarity NPD5736 Approved
0.7153 Intermediate Similarity NPD4060 Phase 1
0.7153 Intermediate Similarity NPD826 Approved
0.7153 Intermediate Similarity NPD3847 Discontinued
0.7153 Intermediate Similarity NPD825 Approved
0.7152 Intermediate Similarity NPD1511 Approved
0.7143 Intermediate Similarity NPD2797 Approved
0.7134 Intermediate Similarity NPD3817 Phase 2
0.7134 Intermediate Similarity NPD7472 Approved
0.7133 Intermediate Similarity NPD6798 Discontinued
0.7132 Intermediate Similarity NPD5585 Approved
0.7132 Intermediate Similarity NPD1358 Approved
0.7123 Intermediate Similarity NPD7097 Phase 1
0.7103 Intermediate Similarity NPD6355 Discontinued
0.7103 Intermediate Similarity NPD447 Suspended
0.7103 Intermediate Similarity NPD1933 Approved
0.7101 Intermediate Similarity NPD1535 Discovery
0.7091 Intermediate Similarity NPD6797 Phase 2
0.7071 Intermediate Similarity NPD3225 Approved
0.707 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7068 Intermediate Similarity NPD5283 Phase 1
0.7067 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD4110 Phase 3
0.7059 Intermediate Similarity NPD1512 Approved
0.7059 Intermediate Similarity NPD9545 Approved
0.7054 Intermediate Similarity NPD3134 Approved
0.705 Intermediate Similarity NPD1481 Phase 2
0.7048 Intermediate Similarity NPD7251 Discontinued
0.7039 Intermediate Similarity NPD4357 Discontinued
0.703 Intermediate Similarity NPD7074 Phase 3
0.7029 Intermediate Similarity NPD3496 Discontinued
0.7019 Intermediate Similarity NPD7199 Phase 2
0.7014 Intermediate Similarity NPD3268 Approved
0.7006 Intermediate Similarity NPD1934 Approved
0.6993 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6992 Remote Similarity NPD5535 Approved
0.6987 Remote Similarity NPD7028 Phase 2
0.6986 Remote Similarity NPD555 Phase 2
0.6981 Remote Similarity NPD3882 Suspended
0.6978 Remote Similarity NPD3705 Approved
0.6975 Remote Similarity NPD6232 Discontinued
0.6972 Remote Similarity NPD257 Approved
0.6972 Remote Similarity NPD258 Approved
0.6966 Remote Similarity NPD4062 Phase 3
0.6966 Remote Similarity NPD259 Phase 1
0.6966 Remote Similarity NPD6663 Approved
0.6959 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6957 Remote Similarity NPD4626 Approved
0.6954 Remote Similarity NPD4628 Phase 3
0.695 Remote Similarity NPD1283 Approved
0.6939 Remote Similarity NPD6653 Approved
0.6935 Remote Similarity NPD2933 Approved
0.6935 Remote Similarity NPD2934 Approved
0.6934 Remote Similarity NPD1894 Discontinued
0.6933 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6923 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6918 Remote Similarity NPD1613 Approved
0.6918 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6918 Remote Similarity NPD943 Approved
0.6905 Remote Similarity NPD7808 Phase 3
0.6899 Remote Similarity NPD5909 Discontinued
0.6897 Remote Similarity NPD2313 Discontinued
0.6884 Remote Similarity NPD9268 Approved
0.6883 Remote Similarity NPD7422 Clinical (unspecified phase)
0.688 Remote Similarity NPD2860 Approved
0.688 Remote Similarity NPD2859 Approved
0.6879 Remote Similarity NPD4359 Approved
0.6871 Remote Similarity NPD4340 Discontinued
0.6855 Remote Similarity NPD1465 Phase 2
0.6853 Remote Similarity NPD2798 Approved
0.685 Remote Similarity NPD3020 Approved
0.6848 Remote Similarity NPD7473 Discontinued
0.6846 Remote Similarity NPD2799 Discontinued
0.6835 Remote Similarity NPD1778 Approved
0.6835 Remote Similarity NPD3019 Approved
0.6835 Remote Similarity NPD2932 Approved
0.6832 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6828 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6815 Remote Similarity NPD7458 Discontinued
0.681 Remote Similarity NPD8127 Discontinued
0.6809 Remote Similarity NPD1608 Approved
0.6806 Remote Similarity NPD9569 Approved
0.6803 Remote Similarity NPD3620 Phase 2
0.6803 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6803 Remote Similarity NPD2979 Phase 3
0.68 Remote Similarity NPD6032 Approved
0.6791 Remote Similarity NPD969 Suspended
0.6788 Remote Similarity NPD9493 Approved
0.6788 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6788 Remote Similarity NPD6166 Phase 2
0.6788 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6783 Remote Similarity NPD1203 Approved
0.6781 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6776 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6767 Remote Similarity NPD2067 Discontinued
0.6763 Remote Similarity NPD5691 Approved
0.6761 Remote Similarity NPD2983 Phase 2
0.6761 Remote Similarity NPD2982 Phase 2
0.6755 Remote Similarity NPD2346 Discontinued
0.675 Remote Similarity NPD5563 Clinical (unspecified phase)
0.6746 Remote Similarity NPD7240 Approved
0.6746 Remote Similarity NPD6559 Discontinued
0.6738 Remote Similarity NPD1281 Approved
0.6738 Remote Similarity NPD422 Phase 1
0.6736 Remote Similarity NPD5647 Approved
0.6733 Remote Similarity NPD7033 Discontinued
0.6733 Remote Similarity NPD4308 Phase 3
0.6732 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6732 Remote Similarity NPD3750 Approved
0.6731 Remote Similarity NPD6273 Approved
0.673 Remote Similarity NPD6386 Approved
0.673 Remote Similarity NPD6385 Approved
0.6725 Remote Similarity NPD7090 Clinical (unspecified phase)
0.6711 Remote Similarity NPD970 Clinical (unspecified phase)
0.6708 Remote Similarity NPD5402 Approved
0.669 Remote Similarity NPD2981 Phase 2
0.669 Remote Similarity NPD2861 Phase 2
0.6689 Remote Similarity NPD2438 Suspended
0.6689 Remote Similarity NPD4140 Approved
0.6667 Remote Similarity NPD1242 Phase 1
0.6667 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3266 Approved
0.6667 Remote Similarity NPD4978 Clinical (unspecified phase)
0.6667 Remote Similarity NPD968 Approved
0.6667 Remote Similarity NPD3267 Approved
0.6667 Remote Similarity NPD4380 Phase 2
0.6646 Remote Similarity NPD2978 Approved
0.6646 Remote Similarity NPD8455 Phase 2
0.6646 Remote Similarity NPD2977 Approved
0.6645 Remote Similarity NPD7440 Discontinued
0.6645 Remote Similarity NPD2029 Clinical (unspecified phase)
0.6644 Remote Similarity NPD275 Approved
0.6644 Remote Similarity NPD274 Approved
0.6644 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6832 Phase 2
0.6644 Remote Similarity NPD2614 Approved
0.6643 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6643 Remote Similarity NPD1651 Approved
0.6642 Remote Similarity NPD690 Clinical (unspecified phase)
0.6626 Remote Similarity NPD7075 Discontinued
0.6623 Remote Similarity NPD7003 Approved
0.6622 Remote Similarity NPD8032 Phase 2
0.6621 Remote Similarity NPD6584 Phase 3
0.6618 Remote Similarity NPD7843 Approved
0.6617 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6604 Remote Similarity NPD3226 Approved
0.6604 Remote Similarity NPD3111 Phase 1
0.6604 Remote Similarity NPD3866 Clinical (unspecified phase)
0.6601 Remote Similarity NPD2424 Discontinued
0.6601 Remote Similarity NPD5958 Discontinued
0.6601 Remote Similarity NPD4534 Discontinued
0.66 Remote Similarity NPD2492 Phase 1
0.6599 Remote Similarity NPD9536 Phase 1
0.6599 Remote Similarity NPD9537 Phase 1
0.6596 Remote Similarity NPD17 Approved
0.6594 Remote Similarity NPD6671 Approved
0.6594 Remote Similarity NPD7157 Approved
0.6594 Remote Similarity NPD4198 Discontinued
0.6593 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6579 Remote Similarity NPD9570 Approved
0.6577 Remote Similarity NPD1558 Phase 1
0.6575 Remote Similarity NPD3018 Phase 2
0.6573 Remote Similarity NPD9717 Approved
0.6569 Remote Similarity NPD1241 Discontinued
0.6568 Remote Similarity NPD7804 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11590196
ChEMBL   CHEMBL480862
ZINC  

Physicochemical Properties

Molecular Weight:  436.12
ALogP:  -1.4805
MLogP:  3.22
XLogP:  3.28
# Rotatable Bonds:  10
Polar Surface Area:  125.68
# H-Bond Aceptor:  4
# H-Bond Donor:  4
# Rings:  4
# Heavy Atoms:  32

Download Data

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