Natural Product: NPC477301

Natural Product ID:  NPC477301
Common Name:   Methylinoscavin B
IUPAC Name:   (3Z)-3-[(3,4-dihydroxyphenyl)methylidene]-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-methoxy-2-methylfuro[3,2-c]pyran-4-one
Synonyms:  
Molecular Formula:   C25H22O8
Standard InCHIKey:  XCJITIROISCLRT-GAGKHWTPSA-N
Standard InCHI:  InChI=1S/C25H22O8/c1-25(31-3)17(10-15-6-8-18(26)20(28)11-15)23-22(33-25)13-16(32-24(23)29)7-4-14-5-9-19(27)21(12-14)30-2/h4-13,26-28H,1-3H3/b7-4+,17-10-
Canonical SMILES:  COc1cc(/C=C/c2oc(=O)c3c(c2)OC(/C/3=Cc2ccc(c(c2)O)O)(C)OC)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 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 = 38000 nM 16499338
NPT2 Others Unspecified IC50 = 13100 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 NPC477301 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 NPC477300
0.9104 High Similarity NPC311742
0.8923 High Similarity NPC67951
0.8915 High Similarity NPC306100
0.8855 High Similarity NPC118584
0.8846 High Similarity NPC246704
0.8779 High Similarity NPC289459
0.8779 High Similarity NPC197832
0.8769 High Similarity NPC285345
0.8759 High Similarity NPC90431
0.875 High Similarity NPC2058
0.8714 High Similarity NPC52664
0.8712 High Similarity NPC120225
0.8712 High Similarity NPC213552
0.8712 High Similarity NPC276014
0.8657 High Similarity NPC83062
0.8643 High Similarity NPC282291
0.8643 High Similarity NPC166137
0.8626 High Similarity NPC106659
0.8626 High Similarity NPC229084
0.8626 High Similarity NPC160900
0.8626 High Similarity NPC18984
0.8613 High Similarity NPC176814
0.8613 High Similarity NPC68779
0.8613 High Similarity NPC300776
0.8613 High Similarity NPC5310
0.8613 High Similarity NPC4982
0.8592 High Similarity NPC110063
0.8582 High Similarity NPC157816
0.8582 High Similarity NPC140502
0.8582 High Similarity NPC110313
0.8571 High Similarity NPC303680
0.8571 High Similarity NPC84076
0.8571 High Similarity NPC90128
0.8571 High Similarity NPC44730
0.8552 High Similarity NPC478242
0.8551 High Similarity NPC113295
0.8538 High Similarity NPC189844
0.8538 High Similarity NPC109083
0.8538 High Similarity NPC224814
0.8538 High Similarity NPC204466
0.8538 High Similarity NPC471877
0.8538 High Similarity NPC60962
0.8538 High Similarity NPC14007
0.8538 High Similarity NPC158949
0.8538 High Similarity NPC269843
0.8531 High Similarity NPC83743
0.8531 High Similarity NPC216819
0.8531 High Similarity NPC262182
0.8531 High Similarity NPC287615
0.8521 High Similarity NPC478239
0.8519 High Similarity NPC241354
0.8507 High Similarity NPC123228
0.8507 High Similarity NPC276466
0.8507 High Similarity NPC151167
0.8507 High Similarity NPC123722
0.8507 High Similarity NPC5018
0.8503 High Similarity NPC203664
0.85 High Similarity NPC226005
0.8496 Intermediate Similarity NPC280767
0.8489 Intermediate Similarity NPC157554
0.8489 Intermediate Similarity NPC120852
0.8483 Intermediate Similarity NPC1580
0.8478 Intermediate Similarity NPC135127
0.8473 Intermediate Similarity NPC70752
0.8462 Intermediate Similarity NPC202474
0.8456 Intermediate Similarity NPC285361
0.845 Intermediate Similarity NPC272471
0.845 Intermediate Similarity NPC137537
0.845 Intermediate Similarity NPC164706
0.845 Intermediate Similarity NPC107588
0.845 Intermediate Similarity NPC70744
0.8444 Intermediate Similarity NPC46192
0.8444 Intermediate Similarity NPC478215
0.844 Intermediate Similarity NPC288452
0.844 Intermediate Similarity NPC289690
0.8433 Intermediate Similarity NPC179777
0.8421 Intermediate Similarity NPC146886
0.8421 Intermediate Similarity NPC60517
0.8421 Intermediate Similarity NPC20443
0.8409 Intermediate Similarity NPC286573
0.8406 Intermediate Similarity NPC475468
0.8403 Intermediate Similarity NPC252292
0.8403 Intermediate Similarity NPC258671
0.8403 Intermediate Similarity NPC53884
0.8403 Intermediate Similarity NPC34927
0.8403 Intermediate Similarity NPC476382
0.8403 Intermediate Similarity NPC34587
0.8403 Intermediate Similarity NPC100998
0.8389 Intermediate Similarity NPC477299
0.8389 Intermediate Similarity NPC191046
0.8389 Intermediate Similarity NPC194095
0.8389 Intermediate Similarity NPC327032
0.8382 Intermediate Similarity NPC64111
0.8382 Intermediate Similarity NPC208536
0.8382 Intermediate Similarity NPC304622
0.838 Intermediate Similarity NPC186406
0.838 Intermediate Similarity NPC326065
0.838 Intermediate Similarity NPC29599
0.838 Intermediate Similarity NPC100675
0.838 Intermediate Similarity NPC9218
0.8369 Intermediate Similarity NPC100389
0.8369 Intermediate Similarity NPC284409
0.8358 Intermediate Similarity NPC257589
0.8358 Intermediate Similarity NPC53305
0.8356 Intermediate Similarity NPC201148
0.8356 Intermediate Similarity NPC300262
0.8356 Intermediate Similarity NPC3460
0.8356 Intermediate Similarity NPC80732
0.8356 Intermediate Similarity NPC192763
0.8356 Intermediate Similarity NPC210611
0.8356 Intermediate Similarity NPC215095
0.8356 Intermediate Similarity NPC199311
0.8356 Intermediate Similarity NPC261122
0.8356 Intermediate Similarity NPC28651
0.8346 Intermediate Similarity NPC212541
0.8345 Intermediate Similarity NPC199928
0.8345 Intermediate Similarity NPC476865
0.8344 Intermediate Similarity NPC226759
0.8333 Intermediate Similarity NPC194416
0.8333 Intermediate Similarity NPC46880
0.8333 Intermediate Similarity NPC232228
0.8333 Intermediate Similarity NPC304956
0.8333 Intermediate Similarity NPC177291
0.8322 Intermediate Similarity NPC61604
0.8322 Intermediate Similarity NPC245615
0.8322 Intermediate Similarity NPC299706
0.8322 Intermediate Similarity NPC67467
0.8322 Intermediate Similarity NPC115466
0.8321 Intermediate Similarity NPC275950
0.8311 Intermediate Similarity NPC32079
0.831 Intermediate Similarity NPC110699
0.831 Intermediate Similarity NPC106055
0.831 Intermediate Similarity NPC202700
0.8309 Intermediate Similarity NPC226661
0.8309 Intermediate Similarity NPC167463
0.8308 Intermediate Similarity NPC277460
0.8299 Intermediate Similarity NPC90896
0.8299 Intermediate Similarity NPC283839
0.8299 Intermediate Similarity NPC111785
0.8298 Intermediate Similarity NPC281780
0.8298 Intermediate Similarity NPC126206
0.8296 Intermediate Similarity NPC127937
0.8296 Intermediate Similarity NPC92207
0.8296 Intermediate Similarity NPC274356
0.8288 Intermediate Similarity NPC283081
0.8288 Intermediate Similarity NPC143892
0.8288 Intermediate Similarity NPC232992
0.8288 Intermediate Similarity NPC299090
0.8288 Intermediate Similarity NPC221383
0.8286 Intermediate Similarity NPC476870
0.8284 Intermediate Similarity NPC288945
0.8278 Intermediate Similarity NPC471405
0.8276 Intermediate Similarity NPC476864
0.8276 Intermediate Similarity NPC476869
0.8276 Intermediate Similarity NPC476868
0.8276 Intermediate Similarity NPC476866
0.8261 Intermediate Similarity NPC476345
0.8255 Intermediate Similarity NPC476434
0.8255 Intermediate Similarity NPC36130
0.8255 Intermediate Similarity NPC134905
0.8244 Intermediate Similarity NPC57501
0.8244 Intermediate Similarity NPC69670
0.8243 Intermediate Similarity NPC188393
0.8243 Intermediate Similarity NPC470934
0.8239 Intermediate Similarity NPC220942
0.8231 Intermediate Similarity NPC280001
0.8231 Intermediate Similarity NPC472969
0.8231 Intermediate Similarity NPC478237
0.8227 Intermediate Similarity NPC471664
0.8227 Intermediate Similarity NPC471988
0.8227 Intermediate Similarity NPC37468
0.8227 Intermediate Similarity NPC471665
0.8227 Intermediate Similarity NPC186418
0.8224 Intermediate Similarity NPC475663
0.8224 Intermediate Similarity NPC133984
0.8224 Intermediate Similarity NPC286919
0.8224 Intermediate Similarity NPC472860
0.8219 Intermediate Similarity NPC98356
0.8214 Intermediate Similarity NPC67247
0.8214 Intermediate Similarity NPC111635
0.8214 Intermediate Similarity NPC473054
0.8214 Intermediate Similarity NPC471110
0.8212 Intermediate Similarity NPC10205
0.8212 Intermediate Similarity NPC38699
0.8212 Intermediate Similarity NPC131532
0.8209 Intermediate Similarity NPC242372
0.8209 Intermediate Similarity NPC164778
0.8209 Intermediate Similarity NPC257976
0.8209 Intermediate Similarity NPC4181
0.8207 Intermediate Similarity NPC292443
0.8207 Intermediate Similarity NPC476867
0.8207 Intermediate Similarity NPC160378
0.8207 Intermediate Similarity NPC297342
0.8201 Intermediate Similarity NPC111888
0.82 Intermediate Similarity NPC157898
0.8195 Intermediate Similarity NPC114845
0.8195 Intermediate Similarity NPC193484
0.8194 Intermediate Similarity NPC253722
0.8194 Intermediate Similarity NPC31751

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC477301 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
0.8626 High Similarity NPD4379 Clinical (unspecified phase)
0.8403 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.8092 Intermediate Similarity NPD5536 Phase 2
0.7986 Intermediate Similarity NPD7266 Discontinued
0.7935 Intermediate Similarity NPD6234 Discontinued
0.7842 Intermediate Similarity NPD9494 Approved
0.784 Intermediate Similarity NPD7685 Pre-registration
0.7815 Intermediate Similarity NPD1653 Approved
0.777 Intermediate Similarity NPD6190 Approved
0.7769 Intermediate Similarity NPD228 Approved
0.7727 Intermediate Similarity NPD37 Approved
0.7704 Intermediate Similarity NPD1357 Approved
0.7702 Intermediate Similarity NPD3818 Discontinued
0.7692 Intermediate Similarity NPD4966 Approved
0.7692 Intermediate Similarity NPD4965 Approved
0.7692 Intermediate Similarity NPD4967 Phase 2
0.7677 Intermediate Similarity NPD2801 Approved
0.7632 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD7095 Approved
0.7606 Intermediate Similarity NPD3027 Phase 3
0.7593 Intermediate Similarity NPD7228 Approved
0.758 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD7054 Approved
0.7545 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7519 Intermediate Similarity NPD5283 Phase 1
0.7517 Intermediate Similarity NPD1933 Approved
0.7517 Intermediate Similarity NPD447 Suspended
0.7516 Intermediate Similarity NPD3817 Phase 2
0.75 Intermediate Similarity NPD7472 Approved
0.75 Intermediate Similarity NPD6233 Phase 2
0.7467 Intermediate Similarity NPD4110 Phase 3
0.7467 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7462 Intermediate Similarity NPD1358 Approved
0.7448 Intermediate Similarity NPD4060 Phase 1
0.7434 Intermediate Similarity NPD4357 Discontinued
0.7432 Intermediate Similarity NPD2935 Discontinued
0.7431 Intermediate Similarity NPD6798 Discontinued
0.7415 Intermediate Similarity NPD7097 Phase 1
0.741 Intermediate Similarity NPD3705 Approved
0.7397 Intermediate Similarity NPD6355 Discontinued
0.7397 Intermediate Similarity NPD230 Phase 1
0.7394 Intermediate Similarity NPD7074 Phase 3
0.7391 Intermediate Similarity NPD7199 Phase 2
0.7389 Intermediate Similarity NPD1934 Approved
0.7372 Intermediate Similarity NPD7028 Phase 2
0.7358 Intermediate Similarity NPD3882 Suspended
0.7351 Intermediate Similarity NPD8166 Discontinued
0.7349 Intermediate Similarity NPD6797 Phase 2
0.7346 Intermediate Similarity NPD6232 Discontinued
0.7338 Intermediate Similarity NPD3847 Discontinued
0.7324 Intermediate Similarity NPD2797 Approved
0.732 Intermediate Similarity NPD1511 Approved
0.7319 Intermediate Similarity NPD5585 Approved
0.731 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD7251 Discontinued
0.7301 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7292 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD1535 Discovery
0.7262 Intermediate Similarity NPD7808 Phase 3
0.726 Intermediate Similarity NPD4062 Phase 3
0.7254 Intermediate Similarity NPD3225 Approved
0.7252 Intermediate Similarity NPD3134 Approved
0.7237 Intermediate Similarity NPD4628 Phase 3
0.7234 Intermediate Similarity NPD1481 Phase 2
0.7233 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7233 Intermediate Similarity NPD1465 Phase 2
0.723 Intermediate Similarity NPD6653 Approved
0.7226 Intermediate Similarity NPD1512 Approved
0.7222 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7218 Intermediate Similarity NPD3021 Approved
0.7218 Intermediate Similarity NPD3022 Approved
0.7214 Intermediate Similarity NPD3496 Discontinued
0.7212 Intermediate Similarity NPD7473 Discontinued
0.7211 Intermediate Similarity NPD1613 Approved
0.7211 Intermediate Similarity NPD3620 Phase 2
0.7211 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD3455 Phase 2
0.7192 Intermediate Similarity NPD3268 Approved
0.7185 Intermediate Similarity NPD5535 Approved
0.7183 Intermediate Similarity NPD2983 Phase 2
0.7183 Intermediate Similarity NPD2982 Phase 2
0.7178 Intermediate Similarity NPD8127 Discontinued
0.7162 Intermediate Similarity NPD4340 Discontinued
0.7152 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6166 Phase 2
0.7152 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4626 Approved
0.7133 Intermediate Similarity NPD1283 Approved
0.7125 Intermediate Similarity NPD5563 Clinical (unspecified phase)
0.7122 Intermediate Similarity NPD1894 Discontinued
0.7113 Intermediate Similarity NPD2981 Phase 2
0.7107 Intermediate Similarity NPD6386 Approved
0.7107 Intermediate Similarity NPD6385 Approved
0.7101 Intermediate Similarity NPD7240 Approved
0.7099 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD7458 Discontinued
0.7086 Intermediate Similarity NPD6032 Approved
0.7076 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD3764 Approved
0.7075 Intermediate Similarity NPD2313 Discontinued
0.7063 Intermediate Similarity NPD4359 Approved
0.7041 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7034 Intermediate Similarity NPD2798 Approved
0.7034 Intermediate Similarity NPD5647 Approved
0.7021 Intermediate Similarity NPD1778 Approved
0.702 Intermediate Similarity NPD2799 Discontinued
0.7019 Intermediate Similarity NPD2978 Approved
0.7019 Intermediate Similarity NPD2977 Approved
0.7 Intermediate Similarity NPD6559 Discontinued
0.7 Intermediate Similarity NPD2492 Phase 1
0.6993 Remote Similarity NPD1608 Approved
0.6986 Remote Similarity NPD3018 Phase 2
0.6981 Remote Similarity NPD3111 Phase 1
0.6981 Remote Similarity NPD3866 Clinical (unspecified phase)
0.698 Remote Similarity NPD2979 Phase 3
0.698 Remote Similarity NPD1558 Phase 1
0.6975 Remote Similarity NPD5402 Approved
0.6974 Remote Similarity NPD2438 Suspended
0.6966 Remote Similarity NPD1203 Approved
0.6959 Remote Similarity NPD3144 Approved
0.6959 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6959 Remote Similarity NPD3145 Approved
0.695 Remote Similarity NPD5691 Approved
0.6948 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6937 Remote Similarity NPD4380 Phase 2
0.6934 Remote Similarity NPD7843 Approved
0.6928 Remote Similarity NPD2346 Discontinued
0.6923 Remote Similarity NPD1281 Approved
0.6923 Remote Similarity NPD422 Phase 1
0.6923 Remote Similarity NPD5844 Phase 1
0.6914 Remote Similarity NPD8455 Phase 2
0.6913 Remote Similarity NPD2674 Phase 3
0.6908 Remote Similarity NPD4308 Phase 3
0.6908 Remote Similarity NPD7033 Discontinued
0.6906 Remote Similarity NPD7157 Approved
0.6903 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6903 Remote Similarity NPD3750 Approved
0.6899 Remote Similarity NPD6273 Approved
0.689 Remote Similarity NPD7075 Discontinued
0.6889 Remote Similarity NPD2684 Approved
0.6883 Remote Similarity NPD5958 Discontinued
0.6883 Remote Similarity NPD4534 Discontinued
0.6883 Remote Similarity NPD970 Clinical (unspecified phase)
0.6883 Remote Similarity NPD2424 Discontinued
0.6879 Remote Similarity NPD9545 Approved
0.6875 Remote Similarity NPD824 Approved
0.6875 Remote Similarity NPD9296 Approved
0.6875 Remote Similarity NPD9269 Phase 2
0.6871 Remote Similarity NPD5736 Approved
0.6871 Remote Similarity NPD2861 Phase 2
0.6867 Remote Similarity NPD2821 Approved
0.6867 Remote Similarity NPD825 Approved
0.6867 Remote Similarity NPD4140 Approved
0.6867 Remote Similarity NPD826 Approved
0.6866 Remote Similarity NPD968 Approved
0.6852 Remote Similarity NPD7945 Clinical (unspecified phase)
0.6849 Remote Similarity NPD3267 Approved
0.6849 Remote Similarity NPD3266 Approved
0.6839 Remote Similarity NPD6674 Discontinued
0.6835 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6831 Remote Similarity NPD1651 Approved
0.6828 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6832 Phase 2
0.6824 Remote Similarity NPD2614 Approved
0.6821 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6818 Remote Similarity NPD1375 Discontinued
0.6815 Remote Similarity NPD7440 Discontinued
0.6813 Remote Similarity NPD3686 Approved
0.6813 Remote Similarity NPD3687 Approved
0.681 Remote Similarity NPD1006 Clinical (unspecified phase)
0.6806 Remote Similarity NPD1091 Approved
0.6803 Remote Similarity NPD6584 Phase 3
0.6802 Remote Similarity NPD7038 Approved
0.6802 Remote Similarity NPD7039 Approved
0.68 Remote Similarity NPD8032 Phase 2
0.6796 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6795 Remote Similarity NPD7003 Approved
0.6795 Remote Similarity NPD6331 Phase 2
0.679 Remote Similarity NPD6873 Phase 2
0.6786 Remote Similarity NPD6671 Approved
0.6783 Remote Similarity NPD17 Approved
0.6779 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6776 Remote Similarity NPD2653 Approved
0.6772 Remote Similarity NPD6799 Approved
0.677 Remote Similarity NPD3226 Approved
0.6763 Remote Similarity NPD1241 Discontinued
0.6759 Remote Similarity NPD9717 Approved
0.6752 Remote Similarity NPD2354 Approved
0.675 Remote Similarity NPD5403 Approved
0.6748 Remote Similarity NPD6801 Discontinued
0.6739 Remote Similarity NPD969 Suspended
0.6739 Remote Similarity NPD7680 Approved
0.6731 Remote Similarity NPD1652 Phase 2
0.6731 Remote Similarity NPD3060 Approved
0.673 Remote Similarity NPD4739 Approved
0.6724 Remote Similarity NPD8313 Approved
0.6724 Remote Similarity NPD8312 Approved

Structure

External Identifiers

PubChem CID   11676764
ChEMBL   CHEMBL480863
ZINC  

Physicochemical Properties

Molecular Weight:  450.13
ALogP:  -1.072
MLogP:  3.33
XLogP:  3.37
# Rotatable Bonds:  11
Polar Surface Area:  114.68
# H-Bond Aceptor:  4
# H-Bond Donor:  3
# Rings:  4
# Heavy Atoms:  33

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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