Natural Product: NPC32032

Natural Product ID:  NPC32032
Common Name:   Iriflophenone
IUPAC Name:   (4-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Synonyms:   Iriflophenone
Molecular Formula:   C13H10O5
Standard InCHIKey:  AOJWDTJDEGSHOA-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
Canonical SMILES:  Oc1ccc(cc1)C(=O)c1c(O)cc(cc1O)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
NPO30734 Belamcanda chinensis Species Iridaceae Eukaryota Rhizomes Thailand PMID[15787436]
NPO12854 Iris potaninii Species Iridaceae Eukaryota HerDing*
NPO28047 Iris florentina Species Tarachodidae Eukaryota HerDing*
NPO29673 Drynariae rhizoma NA NA NA TCMSP*
NPO28047 Iris florentina Species Tarachodidae Eukaryota TCMID*
NPO12854 Iris potaninii Species Iridaceae Eukaryota TCMID*
NPO26741 Anemarrhena asphodeloides Species Asparagaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT83 Cell Line MCF7 Homo sapiens Activity = 0.7 nM 15787436
NPT83 Cell Line MCF7 Homo sapiens Activity = 6.8 nM 15787436
NPT396 Cell Line T47D Homo sapiens Activity = 4.9 nM 15787436

  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 NPC32032 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
1.0 High Similarity NPC133909
0.9913 High Similarity NPC267552
0.9913 High Similarity NPC45438
0.9913 High Similarity NPC143427
0.9913 High Similarity NPC242895
0.9913 High Similarity NPC73532
0.9913 High Similarity NPC156139
0.9913 High Similarity NPC224273
0.9913 High Similarity NPC19174
0.9913 High Similarity NPC115159
0.9826 High Similarity NPC297186
0.9739 High Similarity NPC159525
0.9664 High Similarity NPC8745
0.9661 High Similarity NPC13238
0.9652 High Similarity NPC158222
0.9583 High Similarity NPC30501
0.9583 High Similarity NPC23126
0.9583 High Similarity NPC266689
0.9583 High Similarity NPC103356
0.9583 High Similarity NPC169250
0.9583 High Similarity NPC190043
0.9583 High Similarity NPC105157
0.9583 High Similarity NPC100067
0.9583 High Similarity NPC98254
0.9583 High Similarity NPC72158
0.9583 High Similarity NPC162612
0.958 High Similarity NPC10926
0.9573 High Similarity NPC196976
0.9504 High Similarity NPC21305
0.9504 High Similarity NPC221777
0.9504 High Similarity NPC473017
0.95 High Similarity NPC267846
0.95 High Similarity NPC62952
0.9483 High Similarity NPC161617
0.9426 High Similarity NPC102829
0.9426 High Similarity NPC120488
0.9426 High Similarity NPC474998
0.9421 High Similarity NPC116513
0.9402 High Similarity NPC294037
0.9397 High Similarity NPC40649
0.9397 High Similarity NPC209486
0.9328 High Similarity NPC309765
0.9322 High Similarity NPC248363
0.9322 High Similarity NPC149246
0.9322 High Similarity NPC146642
0.9316 High Similarity NPC188814
0.9316 High Similarity NPC195262
0.9274 High Similarity NPC475042
0.9268 High Similarity NPC476119
0.9244 High Similarity NPC215392
0.9244 High Similarity NPC303737
0.92 High Similarity NPC135801
0.9194 High Similarity NPC26697
0.9194 High Similarity NPC233056
0.9167 High Similarity NPC91105
0.9127 High Similarity NPC139074
0.9127 High Similarity NPC213485
0.9127 High Similarity NPC40524
0.912 High Similarity NPC34070
0.912 High Similarity NPC469526
0.9113 High Similarity NPC109123
0.9113 High Similarity NPC92624
0.9091 High Similarity NPC65761
0.9091 High Similarity NPC472029
0.9083 High Similarity NPC226275
0.9068 High Similarity NPC241089
0.9055 High Similarity NPC44437
0.9055 High Similarity NPC282780
0.9055 High Similarity NPC166480
0.9052 High Similarity NPC118288
0.9052 High Similarity NPC276111
0.9048 High Similarity NPC175738
0.9048 High Similarity NPC313618
0.9048 High Similarity NPC262359
0.904 High Similarity NPC259942
0.8984 High Similarity NPC61153
0.8984 High Similarity NPC470210
0.8984 High Similarity NPC286336
0.8984 High Similarity NPC283590
0.8984 High Similarity NPC70859
0.8984 High Similarity NPC130899
0.8983 High Similarity NPC121259
0.8976 High Similarity NPC212631
0.8976 High Similarity NPC257756
0.8976 High Similarity NPC129132
0.8976 High Similarity NPC87231
0.8976 High Similarity NPC205468
0.8968 High Similarity NPC275504
0.8943 High Similarity NPC475733
0.8915 High Similarity NPC194764
0.8915 High Similarity NPC39426
0.8915 High Similarity NPC234560
0.8915 High Similarity NPC239495
0.8915 High Similarity NPC131039
0.8915 High Similarity NPC264112
0.8915 High Similarity NPC9985
0.8915 High Similarity NPC65005
0.8908 High Similarity NPC283844
0.8906 High Similarity NPC144051
0.8906 High Similarity NPC192304
0.8906 High Similarity NPC175098
0.8906 High Similarity NPC28753
0.8906 High Similarity NPC139813
0.8906 High Similarity NPC82225
0.8906 High Similarity NPC337373
0.8906 High Similarity NPC20560
0.8906 High Similarity NPC188646
0.8906 High Similarity NPC18877
0.8906 High Similarity NPC56031
0.8906 High Similarity NPC294593
0.8906 High Similarity NPC204960
0.8906 High Similarity NPC159623
0.8906 High Similarity NPC242294
0.8906 High Similarity NPC312318
0.8906 High Similarity NPC263670
0.8906 High Similarity NPC472365
0.8898 High Similarity NPC308037
0.8898 High Similarity NPC64359
0.8889 High Similarity NPC244441
0.8846 High Similarity NPC168105
0.8846 High Similarity NPC1486
0.8846 High Similarity NPC41461
0.8846 High Similarity NPC249606
0.8846 High Similarity NPC477244
0.8846 High Similarity NPC98115
0.8846 High Similarity NPC87545
0.8846 High Similarity NPC12165
0.8846 High Similarity NPC53414
0.8846 High Similarity NPC290030
0.8846 High Similarity NPC474110
0.8846 High Similarity NPC25287
0.8846 High Similarity NPC213603
0.8846 High Similarity NPC150399
0.8846 High Similarity NPC274109
0.8846 High Similarity NPC477242
0.8846 High Similarity NPC53206
0.8846 High Similarity NPC44960
0.8846 High Similarity NPC235428
0.8846 High Similarity NPC477243
0.8846 High Similarity NPC66349
0.8846 High Similarity NPC186838
0.8843 High Similarity NPC229649
0.8837 High Similarity NPC172262
0.8828 High Similarity NPC267205
0.8824 High Similarity NPC230349
0.88 High Similarity NPC107672
0.879 High Similarity NPC477454
0.8779 High Similarity NPC303644
0.8779 High Similarity NPC153979
0.8779 High Similarity NPC162680
0.8779 High Similarity NPC175552
0.8779 High Similarity NPC209560
0.8779 High Similarity NPC294409
0.8779 High Similarity NPC116632
0.8779 High Similarity NPC7013
0.8779 High Similarity NPC181124
0.8779 High Similarity NPC317119
0.8779 High Similarity NPC472419
0.8779 High Similarity NPC212767
0.8769 High Similarity NPC254847
0.8769 High Similarity NPC156092
0.8769 High Similarity NPC13575
0.876 High Similarity NPC78540
0.876 High Similarity NPC50898
0.876 High Similarity NPC57601
0.876 High Similarity NPC475088
0.876 High Similarity NPC274121
0.876 High Similarity NPC213216
0.875 High Similarity NPC66384
0.875 High Similarity NPC164236
0.875 High Similarity NPC475008
0.875 High Similarity NPC186097
0.875 High Similarity NPC475009
0.875 High Similarity NPC112192
0.875 High Similarity NPC128348
0.875 High Similarity NPC189106
0.875 High Similarity NPC309717
0.874 High Similarity NPC147757
0.874 High Similarity NPC185497
0.874 High Similarity NPC247779
0.873 High Similarity NPC95537
0.873 High Similarity NPC186098
0.873 High Similarity NPC179898
0.873 High Similarity NPC80694
0.872 High Similarity NPC95309
0.872 High Similarity NPC473691
0.8712 High Similarity NPC21350
0.8712 High Similarity NPC90665
0.8712 High Similarity NPC147686
0.8712 High Similarity NPC472903
0.8712 High Similarity NPC12175
0.8712 High Similarity NPC138099
0.8712 High Similarity NPC55162
0.8712 High Similarity NPC124269
0.8712 High Similarity NPC112789
0.8712 High Similarity NPC309154
0.8712 High Similarity NPC279668
0.8712 High Similarity NPC19622
0.8712 High Similarity NPC329225
0.8712 High Similarity NPC242994

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC32032 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
0.92 High Similarity NPD943 Approved
0.9048 High Similarity NPD1240 Approved
0.8915 High Similarity NPD1510 Phase 2
0.8906 High Similarity NPD1607 Approved
0.8769 High Similarity NPD1509 Clinical (unspecified phase)
0.8712 High Similarity NPD1549 Phase 2
0.8636 High Similarity NPD1550 Clinical (unspecified phase)
0.8636 High Similarity NPD1552 Clinical (unspecified phase)
0.8346 Intermediate Similarity NPD1470 Approved
0.8346 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.8346 Intermediate Similarity NPD1164 Approved
0.832 Intermediate Similarity NPD1201 Approved
0.822 Intermediate Similarity NPD74 Approved
0.822 Intermediate Similarity NPD9266 Approved
0.8201 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8201 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8136 Intermediate Similarity NPD9267 Approved
0.8136 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.8136 Intermediate Similarity NPD9264 Approved
0.8136 Intermediate Similarity NPD9263 Approved
0.8129 Intermediate Similarity NPD1511 Approved
0.8129 Intermediate Similarity NPD7390 Discontinued
0.8042 Intermediate Similarity NPD4380 Phase 2
0.8015 Intermediate Similarity NPD2796 Approved
0.8014 Intermediate Similarity NPD1512 Approved
0.7984 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7984 Intermediate Similarity NPD9493 Approved
0.7923 Intermediate Similarity NPD1203 Approved
0.7914 Intermediate Similarity NPD3750 Approved
0.7899 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7883 Intermediate Similarity NPD5405 Approved
0.7883 Intermediate Similarity NPD1551 Phase 2
0.7883 Intermediate Similarity NPD5404 Approved
0.7883 Intermediate Similarity NPD5408 Approved
0.7883 Intermediate Similarity NPD5406 Approved
0.7872 Intermediate Similarity NPD6799 Approved
0.7863 Intermediate Similarity NPD846 Approved
0.7863 Intermediate Similarity NPD940 Approved
0.7862 Intermediate Similarity NPD7411 Suspended
0.7829 Intermediate Similarity NPD9269 Phase 2
0.7823 Intermediate Similarity NPD9281 Approved
0.7808 Intermediate Similarity NPD1934 Approved
0.7797 Intermediate Similarity NPD9261 Approved
0.7795 Intermediate Similarity NPD9268 Approved
0.7795 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7755 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7754 Intermediate Similarity NPD2935 Discontinued
0.7718 Intermediate Similarity NPD3749 Approved
0.7718 Intermediate Similarity NPD7075 Discontinued
0.7718 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7717 Intermediate Similarity NPD9545 Approved
0.7703 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD2344 Approved
0.7671 Intermediate Similarity NPD6599 Discontinued
0.7664 Intermediate Similarity NPD6651 Approved
0.766 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7651 Intermediate Similarity NPD3882 Suspended
0.7635 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7635 Intermediate Similarity NPD7819 Suspended
0.7635 Intermediate Similarity NPD2801 Approved
0.7627 Intermediate Similarity NPD1242 Phase 1
0.7589 Intermediate Similarity NPD2800 Approved
0.7589 Intermediate Similarity NPD1243 Approved
0.7568 Intermediate Similarity NPD6801 Discontinued
0.7557 Intermediate Similarity NPD9717 Approved
0.7554 Intermediate Similarity NPD3748 Approved
0.75 Intermediate Similarity NPD3764 Approved
0.75 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2309 Approved
0.7481 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7465 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD230 Phase 1
0.7463 Intermediate Similarity NPD2798 Approved
0.7438 Intermediate Similarity NPD1237 Approved
0.7431 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7429 Intermediate Similarity NPD2799 Discontinued
0.7419 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD7768 Phase 2
0.7372 Intermediate Similarity NPD2313 Discontinued
0.7347 Intermediate Similarity NPD5403 Approved
0.7347 Intermediate Similarity NPD920 Approved
0.7329 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD5401 Approved
0.7325 Intermediate Similarity NPD3818 Discontinued
0.7319 Intermediate Similarity NPD520 Approved
0.7308 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7308 Intermediate Similarity NPD6166 Phase 2
0.7308 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD3972 Approved
0.729 Intermediate Similarity NPD6232 Discontinued
0.7288 Intermediate Similarity NPD2859 Approved
0.7288 Intermediate Similarity NPD2860 Approved
0.7261 Intermediate Similarity NPD7473 Discontinued
0.7237 Intermediate Similarity NPD3817 Phase 2
0.7226 Intermediate Similarity NPD6959 Discontinued
0.7226 Intermediate Similarity NPD6832 Phase 2
0.7222 Intermediate Similarity NPD2654 Approved
0.7218 Intermediate Similarity NPD422 Phase 1
0.7211 Intermediate Similarity NPD2533 Approved
0.7211 Intermediate Similarity NPD2532 Approved
0.7211 Intermediate Similarity NPD2534 Approved
0.7203 Intermediate Similarity NPD2934 Approved
0.7203 Intermediate Similarity NPD2933 Approved
0.719 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7188 Intermediate Similarity NPD5953 Discontinued
0.7176 Intermediate Similarity NPD1548 Phase 1
0.717 Intermediate Similarity NPD7286 Phase 2
0.717 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4750 Phase 3
0.7125 Intermediate Similarity NPD7074 Phase 3
0.7122 Intermediate Similarity NPD3268 Approved
0.7107 Intermediate Similarity NPD3020 Approved
0.709 Intermediate Similarity NPD1610 Phase 2
0.7075 Intermediate Similarity NPD3300 Phase 2
0.7063 Intermediate Similarity NPD6020 Phase 2
0.7063 Intermediate Similarity NPD4308 Phase 3
0.7063 Intermediate Similarity NPD7054 Approved
0.7059 Intermediate Similarity NPD1465 Phase 2
0.7055 Intermediate Similarity NPD1196 Approved
0.7055 Intermediate Similarity NPD4628 Phase 3
0.7051 Intermediate Similarity NPD5494 Approved
0.7027 Intermediate Similarity NPD1543 Discontinued
0.702 Intermediate Similarity NPD3226 Approved
0.7019 Intermediate Similarity NPD7472 Approved
0.7014 Intermediate Similarity NPD6099 Approved
0.7014 Intermediate Similarity NPD6100 Approved
0.7013 Intermediate Similarity NPD5402 Approved
0.7007 Intermediate Similarity NPD2797 Approved
0.7 Intermediate Similarity NPD1296 Phase 2
0.7 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD411 Approved
0.6994 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6987 Remote Similarity NPD919 Approved
0.6986 Remote Similarity NPD1195 Approved
0.698 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6975 Remote Similarity NPD1202 Approved
0.6975 Remote Similarity NPD6797 Phase 2
0.6972 Remote Similarity NPD447 Suspended
0.6966 Remote Similarity NPD2346 Discontinued
0.694 Remote Similarity NPD3019 Approved
0.694 Remote Similarity NPD2932 Approved
0.6934 Remote Similarity NPD3225 Approved
0.6934 Remote Similarity NPD1876 Approved
0.6933 Remote Similarity NPD7251 Discontinued
0.6933 Remote Similarity NPD6559 Discontinued
0.6923 Remote Similarity NPD1241 Discontinued
0.6918 Remote Similarity NPD3926 Phase 2
0.6917 Remote Similarity NPD1759 Phase 1
0.6912 Remote Similarity NPD1608 Approved
0.6912 Remote Similarity NPD1481 Phase 2
0.6903 Remote Similarity NPD4288 Approved
0.6903 Remote Similarity NPD2296 Approved
0.6899 Remote Similarity NPD1247 Approved
0.689 Remote Similarity NPD7808 Phase 3
0.689 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6884 Remote Similarity NPD3266 Approved
0.6884 Remote Similarity NPD3267 Approved
0.6864 Remote Similarity NPD9258 Approved
0.6864 Remote Similarity NPD9256 Approved
0.6857 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6857 Remote Similarity NPD4908 Phase 1
0.6853 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6853 Remote Similarity NPD1933 Approved
0.6849 Remote Similarity NPD1471 Phase 3
0.6842 Remote Similarity NPD1758 Phase 1
0.6838 Remote Similarity NPD1535 Discovery
0.6835 Remote Similarity NPD1019 Discontinued
0.6828 Remote Similarity NPD7033 Discontinued
0.6828 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6824 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6824 Remote Similarity NPD3400 Discontinued
0.6818 Remote Similarity NPD256 Approved
0.6818 Remote Similarity NPD255 Approved
0.681 Remote Similarity NPD1729 Discontinued
0.68 Remote Similarity NPD1929 Approved
0.68 Remote Similarity NPD1931 Clinical (unspecified phase)
0.68 Remote Similarity NPD1930 Approved
0.6797 Remote Similarity NPD7458 Discontinued
0.6797 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6786 Remote Similarity NPD9494 Approved
0.6786 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6783 Remote Similarity NPD4307 Phase 2
0.6779 Remote Similarity NPD2354 Approved
0.6779 Remote Similarity NPD6190 Approved
0.6777 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6768 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6761 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6748 Remote Similarity NPD5844 Phase 1
0.6746 Remote Similarity NPD4287 Approved
0.6744 Remote Similarity NPD3021 Approved
0.6744 Remote Similarity NPD3022 Approved
0.6739 Remote Similarity NPD1755 Approved
0.6724 Remote Similarity NPD111 Approved
0.6721 Remote Similarity NPD1809 Phase 2
0.6721 Remote Similarity NPD844 Approved
0.6711 Remote Similarity NPD7003 Approved
0.6694 Remote Similarity NPD845 Approved
0.6693 Remote Similarity NPD5048 Discontinued
0.6691 Remote Similarity NPD17 Approved
0.6688 Remote Similarity NPD8438 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   11311158
ChEMBL   CHEMBL443689
ZINC  

Physicochemical Properties

Molecular Weight:  246.05
ALogP:  -2.105
MLogP:  2.34
XLogP:  1.417
# Rotatable Bonds:  6
Polar Surface Area:  97.99
# H-Bond Aceptor:  1
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  18

Download Data

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