Natural Product: NPC96705

Natural Product ID:  NPC96705
Common Name:   Hymecromone Methyl Ether
IUPAC Name:   7-methoxy-4-methylchromen-2-one
Synonyms:  
Molecular Formula:   C11H10O3
Standard InCHIKey:  UDFPKNSWSYBIHO-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
Canonical SMILES:  COc1ccc2c(c1)oc(=O)cc2C
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
NPO13736 Cnidii fructus NA NA NA TCMSP*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT68 Individual Protein Aldose reductase Rattus norvegicus Inhibition = 21 % 3086557
NPT466 Cell Line U-937 Homo sapiens Activity = 4 % 18060791
NPT466 Cell Line U-937 Homo sapiens CC50 > 2000000 nM 18060791
NPT466 Cell Line U-937 Homo sapiens IC50 > 2000000 nM 18060791
NPT149 Individual Protein Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens Potency = 31622.8 nM PubChem BioAssay data set
NPT48 Individual Protein Lysine-specific demethylase 4D-like Homo sapiens Potency = 25118.9 nM PubChem BioAssay data set
NPT94 Individual Protein Aldehyde dehydrogenase 1A1 Homo sapiens Potency = 28183.8 nM PubChem BioAssay data set
NPT151 Individual Protein 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens Potency = 14125.4 nM PubChem BioAssay data set
NPT7 Individual Protein Thioredoxin reductase 1, cytoplasmic Rattus norvegicus Potency 70794.6 nM PubChem BioAssay data set
NPT10 Individual Protein Geminin Homo sapiens Potency 183.6 nM PubChem BioAssay data set
NPT73 Individual Protein Solute carrier organic anion transporter family member 1B1 Homo sapiens Inhibition = 109.18 % 23571415
NPT72 Individual Protein Solute carrier organic anion transporter family member 1B3 Homo sapiens Inhibition = 127.11 % 23571415
NPT2 Others Unspecified EC50 = 230000 nM 24681028

  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 NPC96705 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
0.982 High Similarity NPC265547
0.9732 High Similarity NPC281356
0.9732 High Similarity NPC298796
0.9643 High Similarity NPC152306
0.964 High Similarity NPC128633
0.9565 High Similarity NPC248429
0.9565 High Similarity NPC96286
0.9561 High Similarity NPC235190
0.9561 High Similarity NPC163200
0.9561 High Similarity NPC180006
0.9483 High Similarity NPC472518
0.9483 High Similarity NPC315807
0.9478 High Similarity NPC52247
0.9402 High Similarity NPC201667
0.9402 High Similarity NPC73413
0.9316 High Similarity NPC109675
0.9316 High Similarity NPC273772
0.931 High Similarity NPC144418
0.931 High Similarity NPC187868
0.9244 High Similarity NPC234109
0.9244 High Similarity NPC188327
0.9237 High Similarity NPC27671
0.9237 High Similarity NPC111347
0.9231 High Similarity NPC257188
0.9231 High Similarity NPC13007
0.916 High Similarity NPC471828
0.916 High Similarity NPC93219
0.916 High Similarity NPC471827
0.916 High Similarity NPC244495
0.9153 High Similarity NPC290605
0.9153 High Similarity NPC173350
0.9153 High Similarity NPC154176
0.9138 High Similarity NPC247553
0.9099 High Similarity NPC106141
0.9091 High Similarity NPC199204
0.9091 High Similarity NPC185066
0.9091 High Similarity NPC472519
0.9083 High Similarity NPC101894
0.9083 High Similarity NPC471826
0.9076 High Similarity NPC291899
0.906 High Similarity NPC319378
0.906 High Similarity NPC302107
0.9016 High Similarity NPC168710
0.9009 High Similarity NPC149545
0.9008 High Similarity NPC243688
0.9008 High Similarity NPC121740
0.9008 High Similarity NPC258567
0.9008 High Similarity NPC224774
0.9 High Similarity NPC168259
0.8943 High Similarity NPC80170
0.8934 High Similarity NPC469453
0.8833 High Similarity NPC50720
0.88 High Similarity NPC19157
0.88 High Similarity NPC194277
0.88 High Similarity NPC14248
0.88 High Similarity NPC175159
0.879 High Similarity NPC113098
0.879 High Similarity NPC19242
0.879 High Similarity NPC244799
0.879 High Similarity NPC240722
0.879 High Similarity NPC32463
0.878 High Similarity NPC157212
0.8761 High Similarity NPC231251
0.8761 High Similarity NPC25067
0.8761 High Similarity NPC88868
0.875 High Similarity NPC291837
0.875 High Similarity NPC150214
0.873 High Similarity NPC31849
0.873 High Similarity NPC222036
0.873 High Similarity NPC296624
0.873 High Similarity NPC163557
0.873 High Similarity NPC318400
0.873 High Similarity NPC207002
0.873 High Similarity NPC133956
0.873 High Similarity NPC167111
0.873 High Similarity NPC7526
0.873 High Similarity NPC55147
0.873 High Similarity NPC471910
0.873 High Similarity NPC472524
0.872 High Similarity NPC272650
0.872 High Similarity NPC472517
0.872 High Similarity NPC29734
0.872 High Similarity NPC267336
0.871 High Similarity NPC123127
0.871 High Similarity NPC27239
0.871 High Similarity NPC474289
0.8661 High Similarity NPC195343
0.8661 High Similarity NPC319859
0.8661 High Similarity NPC55149
0.8661 High Similarity NPC62366
0.8661 High Similarity NPC18804
0.8661 High Similarity NPC84894
0.8661 High Similarity NPC267412
0.8661 High Similarity NPC326600
0.8661 High Similarity NPC260265
0.8661 High Similarity NPC98179
0.8661 High Similarity NPC307412
0.8661 High Similarity NPC100986
0.8661 High Similarity NPC74655
0.8661 High Similarity NPC204353
0.8661 High Similarity NPC50896
0.8661 High Similarity NPC253574
0.8661 High Similarity NPC198381
0.8661 High Similarity NPC166672
0.8661 High Similarity NPC47163
0.8661 High Similarity NPC287182
0.8661 High Similarity NPC164269
0.8661 High Similarity NPC127888
0.8651 High Similarity NPC137669
0.8651 High Similarity NPC319969
0.8651 High Similarity NPC469956
0.8649 High Similarity NPC139891
0.8629 High Similarity NPC293642
0.8629 High Similarity NPC139595
0.8629 High Similarity NPC60704
0.8596 High Similarity NPC141068
0.8594 High Similarity NPC471625
0.8594 High Similarity NPC33986
0.8594 High Similarity NPC86892
0.8594 High Similarity NPC66705
0.8594 High Similarity NPC469675
0.8594 High Similarity NPC472424
0.8594 High Similarity NPC281241
0.8594 High Similarity NPC471909
0.8594 High Similarity NPC234865
0.8583 High Similarity NPC241341
0.8583 High Similarity NPC2363
0.8583 High Similarity NPC233018
0.8583 High Similarity NPC469955
0.8583 High Similarity NPC36437
0.8583 High Similarity NPC54503
0.8583 High Similarity NPC469449
0.8583 High Similarity NPC469952
0.8571 High Similarity NPC250727
0.8559 High Similarity NPC109637
0.8559 High Similarity NPC471498
0.8559 High Similarity NPC471503
0.8548 High Similarity NPC289316
0.8545 High Similarity NPC307425
0.8537 High Similarity NPC232692
0.8537 High Similarity NPC202594
0.8527 High Similarity NPC26954
0.8527 High Similarity NPC128529
0.8527 High Similarity NPC283019
0.8527 High Similarity NPC149320
0.8527 High Similarity NPC160727
0.8527 High Similarity NPC286843
0.8527 High Similarity NPC283331
0.8527 High Similarity NPC78746
0.8527 High Similarity NPC476455
0.8527 High Similarity NPC177281
0.8527 High Similarity NPC38099
0.8527 High Similarity NPC55615
0.8527 High Similarity NPC188380
0.8527 High Similarity NPC471630
0.8527 High Similarity NPC224543
0.8525 High Similarity NPC143725
0.8516 High Similarity NPC224475
0.8516 High Similarity NPC92830
0.8516 High Similarity NPC309953
0.8516 High Similarity NPC213173
0.8516 High Similarity NPC180716
0.8516 High Similarity NPC131950
0.8504 High Similarity NPC307289
0.8504 High Similarity NPC123954
0.85 High Similarity NPC473290
0.85 High Similarity NPC471504
0.8487 Intermediate Similarity NPC74821
0.8482 Intermediate Similarity NPC238115
0.8482 Intermediate Similarity NPC128730
0.8482 Intermediate Similarity NPC473855
0.848 Intermediate Similarity NPC474651
0.848 Intermediate Similarity NPC474623
0.8475 Intermediate Similarity NPC33717
0.8468 Intermediate Similarity NPC163248
0.8462 Intermediate Similarity NPC235250
0.8462 Intermediate Similarity NPC471069
0.8462 Intermediate Similarity NPC474886
0.8462 Intermediate Similarity NPC225106
0.8462 Intermediate Similarity NPC212124
0.8462 Intermediate Similarity NPC471068
0.8462 Intermediate Similarity NPC14697
0.8462 Intermediate Similarity NPC281014
0.8462 Intermediate Similarity NPC153818
0.8462 Intermediate Similarity NPC472516
0.8462 Intermediate Similarity NPC294456
0.8462 Intermediate Similarity NPC306365
0.8462 Intermediate Similarity NPC184861
0.8462 Intermediate Similarity NPC155963
0.8462 Intermediate Similarity NPC131198
0.8462 Intermediate Similarity NPC87563
0.8462 Intermediate Similarity NPC232246
0.8455 Intermediate Similarity NPC107101
0.845 Intermediate Similarity NPC61499
0.845 Intermediate Similarity NPC229128
0.845 Intermediate Similarity NPC472525
0.845 Intermediate Similarity NPC73071
0.8438 Intermediate Similarity NPC277021
0.8417 Intermediate Similarity NPC172253
0.8417 Intermediate Similarity NPC59561

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC96705 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
0.9478 High Similarity NPD422 Phase 1
0.8934 High Similarity NPD1008 Clinical (unspecified phase)
0.8649 High Similarity NPD9697 Approved
0.864 High Similarity NPD1296 Phase 2
0.8487 Intermediate Similarity NPD1548 Phase 1
0.8346 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8295 Intermediate Similarity NPD5124 Phase 1
0.8271 Intermediate Similarity NPD1652 Phase 2
0.8136 Intermediate Similarity NPD5535 Approved
0.8106 Intermediate Similarity NPD3748 Approved
0.8087 Intermediate Similarity NPD3134 Approved
0.8065 Intermediate Similarity NPD1610 Phase 2
0.8017 Intermediate Similarity NPD1358 Approved
0.8016 Intermediate Similarity NPD3225 Approved
0.8 Intermediate Similarity NPD1243 Approved
0.7953 Intermediate Similarity NPD2797 Approved
0.7953 Intermediate Similarity NPD3267 Approved
0.7953 Intermediate Similarity NPD3266 Approved
0.7917 Intermediate Similarity NPD1241 Discontinued
0.791 Intermediate Similarity NPD2796 Approved
0.7826 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7823 Intermediate Similarity NPD5691 Approved
0.781 Intermediate Similarity NPD3750 Approved
0.7794 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.777 Intermediate Similarity NPD6799 Approved
0.7769 Intermediate Similarity NPD6832 Phase 2
0.7769 Intermediate Similarity NPD4908 Phase 1
0.773 Intermediate Similarity NPD920 Approved
0.7717 Intermediate Similarity NPD9717 Approved
0.7714 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD3496 Discontinued
0.7669 Intermediate Similarity NPD1240 Approved
0.7652 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7652 Intermediate Similarity NPD3268 Approved
0.7647 Intermediate Similarity NPD1551 Phase 2
0.7619 Intermediate Similarity NPD1778 Approved
0.7619 Intermediate Similarity NPD4626 Approved
0.7619 Intermediate Similarity NPD17 Approved
0.7615 Intermediate Similarity NPD1019 Discontinued
0.7591 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7591 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7563 Intermediate Similarity NPD290 Approved
0.7556 Intermediate Similarity NPD1607 Approved
0.7552 Intermediate Similarity NPD1653 Approved
0.7538 Intermediate Similarity NPD1203 Approved
0.7537 Intermediate Similarity NPD4307 Phase 2
0.7536 Intermediate Similarity NPD1549 Phase 2
0.7519 Intermediate Similarity NPD4749 Approved
0.75 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1611 Approved
0.75 Intermediate Similarity NPD8158 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2684 Approved
0.7481 Intermediate Similarity NPD4340 Discontinued
0.7465 Intermediate Similarity NPD5401 Approved
0.7465 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD1894 Discontinued
0.7448 Intermediate Similarity NPD6599 Discontinued
0.7445 Intermediate Similarity NPD1510 Phase 2
0.7442 Intermediate Similarity NPD1608 Approved
0.7436 Intermediate Similarity NPD940 Approved
0.7436 Intermediate Similarity NPD846 Approved
0.7429 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7413 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD1613 Approved
0.7397 Intermediate Similarity NPD7411 Suspended
0.7365 Intermediate Similarity NPD3817 Phase 2
0.7364 Intermediate Similarity NPD1091 Approved
0.7361 Intermediate Similarity NPD5403 Approved
0.7357 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7353 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD6801 Discontinued
0.7333 Intermediate Similarity NPD919 Approved
0.7323 Intermediate Similarity NPD9545 Approved
0.7319 Intermediate Similarity NPD4308 Phase 3
0.7319 Intermediate Similarity NPD7033 Discontinued
0.7313 Intermediate Similarity NPD4625 Phase 3
0.7297 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD7819 Suspended
0.7293 Intermediate Similarity NPD3018 Phase 2
0.7273 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD1511 Approved
0.7266 Intermediate Similarity NPD5585 Approved
0.7259 Intermediate Similarity NPD6798 Discontinued
0.7259 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7258 Intermediate Similarity NPD821 Approved
0.7258 Intermediate Similarity NPD7843 Approved
0.7231 Intermediate Similarity NPD1535 Discovery
0.7231 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1933 Approved
0.7222 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7768 Phase 2
0.719 Intermediate Similarity NPD968 Approved
0.7176 Intermediate Similarity NPD2981 Phase 2
0.7176 Intermediate Similarity NPD1481 Phase 2
0.7172 Intermediate Similarity NPD7314 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD1512 Approved
0.7165 Intermediate Similarity NPD9493 Approved
0.7162 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7154 Intermediate Similarity NPD3847 Discontinued
0.7154 Intermediate Similarity NPD5451 Approved
0.7153 Intermediate Similarity NPD4060 Phase 1
0.7152 Intermediate Similarity NPD7075 Discontinued
0.7133 Intermediate Similarity NPD4288 Approved
0.7132 Intermediate Similarity NPD411 Approved
0.7122 Intermediate Similarity NPD2200 Suspended
0.7121 Intermediate Similarity NPD2983 Phase 2
0.7121 Intermediate Similarity NPD2982 Phase 2
0.7101 Intermediate Similarity NPD6355 Discontinued
0.7101 Intermediate Similarity NPD447 Suspended
0.7099 Intermediate Similarity NPD1281 Approved
0.709 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2557 Approved
0.7087 Intermediate Similarity NPD6671 Approved
0.7087 Intermediate Similarity NPD7157 Approved
0.7083 Intermediate Similarity NPD6667 Approved
0.7083 Intermediate Similarity NPD6666 Approved
0.708 Intermediate Similarity NPD6233 Phase 2
0.7071 Intermediate Similarity NPD2799 Discontinued
0.7068 Intermediate Similarity NPD8651 Approved
0.7067 Intermediate Similarity NPD2801 Approved
0.7063 Intermediate Similarity NPD7466 Approved
0.7063 Intermediate Similarity NPD4628 Phase 3
0.7059 Intermediate Similarity NPD3027 Phase 3
0.7059 Intermediate Similarity NPD5163 Phase 2
0.7054 Intermediate Similarity NPD1282 Approved
0.705 Intermediate Similarity NPD1772 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD3749 Approved
0.7037 Intermediate Similarity NPD2861 Phase 2
0.7037 Intermediate Similarity NPD2237 Approved
0.7034 Intermediate Similarity NPD7212 Phase 2
0.7034 Intermediate Similarity NPD7213 Phase 3
0.7031 Intermediate Similarity NPD3596 Phase 2
0.7029 Intermediate Similarity NPD4140 Approved
0.7021 Intermediate Similarity NPD2935 Discontinued
0.7021 Intermediate Similarity NPD6100 Approved
0.7021 Intermediate Similarity NPD6099 Approved
0.702 Intermediate Similarity NPD5402 Approved
0.7015 Intermediate Similarity NPD987 Approved
0.7007 Intermediate Similarity NPD3374 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD1048 Approved
0.7007 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7007 Intermediate Similarity NPD2313 Discontinued
0.7 Intermediate Similarity NPD1934 Approved
0.6993 Remote Similarity NPD2654 Approved
0.6992 Remote Similarity NPD4359 Approved
0.6986 Remote Similarity NPD7447 Phase 1
0.6985 Remote Similarity NPD2614 Approved
0.6978 Remote Similarity NPD230 Phase 1
0.6977 Remote Similarity NPD5536 Phase 2
0.6974 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6957 Remote Similarity NPD8032 Phase 2
0.6957 Remote Similarity NPD4062 Phase 3
0.6954 Remote Similarity NPD2393 Clinical (unspecified phase)
0.694 Remote Similarity NPD1283 Approved
0.6934 Remote Similarity NPD7095 Approved
0.6934 Remote Similarity NPD5746 Approved
0.6929 Remote Similarity NPD5283 Phase 1
0.6928 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6928 Remote Similarity NPD6971 Discontinued
0.6923 Remote Similarity NPD2424 Discontinued
0.6923 Remote Similarity NPD6581 Approved
0.6923 Remote Similarity NPD6580 Approved
0.6917 Remote Similarity NPD1242 Phase 1
0.6917 Remote Similarity NPD3972 Approved
0.6912 Remote Similarity NPD454 Approved
0.6908 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6905 Remote Similarity NPD1139 Approved
0.6905 Remote Similarity NPD1137 Approved
0.6905 Remote Similarity NPD228 Approved
0.6901 Remote Similarity NPD4477 Approved
0.6901 Remote Similarity NPD4476 Approved
0.6879 Remote Similarity NPD7097 Phase 1
0.6879 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6875 Remote Similarity NPD2800 Approved
0.6871 Remote Similarity NPD2534 Approved
0.6871 Remote Similarity NPD2532 Approved
0.6871 Remote Similarity NPD2533 Approved
0.687 Remote Similarity NPD6830 Clinical (unspecified phase)
0.687 Remote Similarity NPD3445 Approved
0.687 Remote Similarity NPD3049 Approved
0.687 Remote Similarity NPD1651 Approved
0.687 Remote Similarity NPD3443 Approved
0.687 Remote Similarity NPD3444 Approved
0.6867 Remote Similarity NPD4380 Phase 2
0.6863 Remote Similarity NPD3882 Suspended
0.6857 Remote Similarity NPD4622 Approved
0.6857 Remote Similarity NPD4618 Approved
0.6855 Remote Similarity NPD5844 Phase 1
0.6853 Remote Similarity NPD6005 Phase 3
0.6853 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6853 Remote Similarity NPD5762 Approved
0.6853 Remote Similarity NPD6004 Phase 3
0.6853 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6853 Remote Similarity NPD6002 Phase 3
0.6853 Remote Similarity NPD5763 Approved
0.685 Remote Similarity NPD1138 Approved

Structure

External Identifiers

PubChem CID   390807
ChEMBL   CHEMBL12636
ZINC  

Physicochemical Properties

Molecular Weight:  190.06
ALogP:  0.6646
MLogP:  2.34
XLogP:  2.113
# Rotatable Bonds:  3
Polar Surface Area:  35.53
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  14

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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