Natural Product: NPC285054

Natural Product ID:  NPC285054
Common Name:   Acronyculatin C
IUPAC Name:   1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-methylbutan-1-one
Synonyms:   acronyculatin C
Molecular Formula:   C19H26O5
Standard InCHIKey:  ZTJWTHCRXKCBJH-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C19H26O5/c1-10(2)7-8-13-17(22)16(14(21)9-11(3)4)18(23)15(12(5)20)19(13)24-6/h7,11,22-23H,8-9H2,1-6H3
Canonical SMILES:  COc1c(CC=C(C)C)c(O)c(c(c1C(=O)C)O)C(=O)CC(C)C
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
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota TCM_Taiwan*
NPO12980 Acronychia pedunculata Species Rutaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1 Others Radical scavenging activity Inhibition = 8.3 % 12880321
NPT741 Individual Protein Tyrosinase Homo sapiens Inhibition = 16.8 % 12880321

  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 NPC285054 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
0.9535 High Similarity NPC103105
0.9457 High Similarity NPC27490
0.9385 High Similarity NPC215875
0.9385 High Similarity NPC15834
0.938 High Similarity NPC324482
0.9323 High Similarity NPC322301
0.9323 High Similarity NPC255801
0.9313 High Similarity NPC16197
0.9302 High Similarity NPC84772
0.9248 High Similarity NPC156910
0.9242 High Similarity NPC103842
0.9225 High Similarity NPC230818
0.9225 High Similarity NPC212379
0.9225 High Similarity NPC69235
0.9185 High Similarity NPC477956
0.9179 High Similarity NPC153979
0.9173 High Similarity NPC156092
0.9173 High Similarity NPC84699
0.9173 High Similarity NPC13575
0.9173 High Similarity NPC101752
0.9154 High Similarity NPC186628
0.9118 High Similarity NPC16455
0.9118 High Similarity NPC307990
0.9111 High Similarity NPC474504
0.9111 High Similarity NPC474487
0.9111 High Similarity NPC470672
0.9111 High Similarity NPC470671
0.9111 High Similarity NPC131130
0.9111 High Similarity NPC183639
0.9111 High Similarity NPC21350
0.9111 High Similarity NPC199458
0.9104 High Similarity NPC274109
0.9104 High Similarity NPC174999
0.9104 High Similarity NPC168105
0.9104 High Similarity NPC222633
0.9104 High Similarity NPC477242
0.9104 High Similarity NPC186838
0.9104 High Similarity NPC41461
0.9104 High Similarity NPC25287
0.9104 High Similarity NPC66349
0.9104 High Similarity NPC98115
0.9104 High Similarity NPC150399
0.9104 High Similarity NPC249606
0.9104 High Similarity NPC477243
0.9104 High Similarity NPC1486
0.9104 High Similarity NPC12165
0.9104 High Similarity NPC477244
0.9098 High Similarity NPC144027
0.9098 High Similarity NPC164136
0.9098 High Similarity NPC236974
0.9084 High Similarity NPC279566
0.9084 High Similarity NPC250057
0.907 High Similarity NPC128428
0.907 High Similarity NPC305518
0.9065 High Similarity NPC82534
0.9051 High Similarity NPC476508
0.9044 High Similarity NPC283429
0.9044 High Similarity NPC19476
0.9044 High Similarity NPC241975
0.9037 High Similarity NPC317119
0.9037 High Similarity NPC474624
0.9037 High Similarity NPC472419
0.9037 High Similarity NPC138047
0.9037 High Similarity NPC131782
0.903 High Similarity NPC131039
0.9023 High Similarity NPC28753
0.9023 High Similarity NPC82225
0.9023 High Similarity NPC18877
0.9023 High Similarity NPC204960
0.9023 High Similarity NPC20560
0.9023 High Similarity NPC144051
0.9023 High Similarity NPC159623
0.9023 High Similarity NPC294593
0.8986 High Similarity NPC297600
0.8986 High Similarity NPC470556
0.8978 High Similarity NPC204985
0.8978 High Similarity NPC253822
0.8978 High Similarity NPC172250
0.8978 High Similarity NPC215311
0.8978 High Similarity NPC265178
0.8978 High Similarity NPC477272
0.8978 High Similarity NPC48624
0.8978 High Similarity NPC259166
0.8978 High Similarity NPC213659
0.8978 High Similarity NPC144118
0.8978 High Similarity NPC80962
0.8978 High Similarity NPC326109
0.8978 High Similarity NPC11056
0.8978 High Similarity NPC219917
0.8971 High Similarity NPC477056
0.8971 High Similarity NPC219584
0.8971 High Similarity NPC251681
0.8971 High Similarity NPC470668
0.8971 High Similarity NPC470083
0.8971 High Similarity NPC471620
0.8971 High Similarity NPC243528
0.8971 High Similarity NPC477055
0.8971 High Similarity NPC470669
0.8963 High Similarity NPC213603
0.8963 High Similarity NPC470397
0.8963 High Similarity NPC187826
0.8963 High Similarity NPC24394
0.8963 High Similarity NPC470398
0.8955 High Similarity NPC286336
0.8955 High Similarity NPC125920
0.8947 High Similarity NPC470988
0.8947 High Similarity NPC203817
0.8921 High Similarity NPC18886
0.8921 High Similarity NPC96216
0.8921 High Similarity NPC470909
0.8921 High Similarity NPC470553
0.8921 High Similarity NPC307895
0.8921 High Similarity NPC474939
0.8921 High Similarity NPC5990
0.8913 High Similarity NPC268204
0.8913 High Similarity NPC321980
0.8913 High Similarity NPC52789
0.8913 High Similarity NPC470089
0.8913 High Similarity NPC232021
0.8913 High Similarity NPC40118
0.8913 High Similarity NPC74397
0.8913 High Similarity NPC55832
0.8913 High Similarity NPC470087
0.8913 High Similarity NPC469404
0.8913 High Similarity NPC126534
0.8913 High Similarity NPC26051
0.8913 High Similarity NPC282300
0.8905 High Similarity NPC217186
0.8905 High Similarity NPC23257
0.8905 High Similarity NPC53181
0.8905 High Similarity NPC139554
0.8905 High Similarity NPC470211
0.8905 High Similarity NPC472366
0.8905 High Similarity NPC295384
0.8905 High Similarity NPC240305
0.8889 High Similarity NPC60667
0.8881 High Similarity NPC93756
0.8881 High Similarity NPC192304
0.8881 High Similarity NPC139813
0.8881 High Similarity NPC470984
0.8881 High Similarity NPC56031
0.8881 High Similarity NPC27643
0.8881 High Similarity NPC337373
0.8881 High Similarity NPC108113
0.8881 High Similarity NPC175098
0.8881 High Similarity NPC242294
0.8881 High Similarity NPC263670
0.8881 High Similarity NPC472365
0.8881 High Similarity NPC312318
0.8881 High Similarity NPC188646
0.8872 High Similarity NPC475008
0.8872 High Similarity NPC475009
0.8872 High Similarity NPC185624
0.8872 High Similarity NPC186097
0.8864 High Similarity NPC21378
0.8864 High Similarity NPC470987
0.8857 High Similarity NPC271288
0.8857 High Similarity NPC288910
0.8857 High Similarity NPC328623
0.8857 High Similarity NPC470554
0.8857 High Similarity NPC118059
0.8857 High Similarity NPC133060
0.8855 High Similarity NPC186098
0.8855 High Similarity NPC80694
0.8849 High Similarity NPC276565
0.8849 High Similarity NPC294432
0.8849 High Similarity NPC112829
0.8849 High Similarity NPC472344
0.8841 High Similarity NPC101366
0.8841 High Similarity NPC241100
0.8841 High Similarity NPC159275
0.8841 High Similarity NPC471587
0.8832 High Similarity NPC254168
0.8832 High Similarity NPC470399
0.8832 High Similarity NPC472368
0.8832 High Similarity NPC248995
0.8832 High Similarity NPC272844
0.8824 High Similarity NPC472364
0.8824 High Similarity NPC473391
0.8806 High Similarity NPC87231
0.8806 High Similarity NPC205468
0.8806 High Similarity NPC10971
0.8806 High Similarity NPC129132
0.8806 High Similarity NPC212631
0.8806 High Similarity NPC25937
0.8806 High Similarity NPC257756
0.8794 High Similarity NPC215885
0.8794 High Similarity NPC25844
0.8794 High Similarity NPC476153
0.8794 High Similarity NPC2416
0.8794 High Similarity NPC470910
0.8794 High Similarity NPC470322
0.8794 High Similarity NPC477955
0.8786 High Similarity NPC125894
0.8786 High Similarity NPC85162
0.8786 High Similarity NPC184738
0.8786 High Similarity NPC106985
0.8786 High Similarity NPC166138
0.8786 High Similarity NPC278249
0.8786 High Similarity NPC475705

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC285054 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
0.9023 High Similarity NPD6651 Approved
0.8731 High Similarity NPD1240 Approved
0.8723 High Similarity NPD4378 Clinical (unspecified phase)
0.8633 High Similarity NPD2800 Approved
0.8613 High Similarity NPD1510 Phase 2
0.8603 High Similarity NPD1607 Approved
0.8592 High Similarity NPD2534 Approved
0.8592 High Similarity NPD2533 Approved
0.8592 High Similarity NPD2532 Approved
0.8571 High Similarity NPD8443 Clinical (unspecified phase)
0.8462 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8429 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8367 Intermediate Similarity NPD7411 Suspended
0.8357 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8357 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8299 Intermediate Similarity NPD4380 Phase 2
0.8298 Intermediate Similarity NPD1549 Phase 2
0.8255 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.8156 Intermediate Similarity NPD2796 Approved
0.8092 Intermediate Similarity NPD7075 Discontinued
0.8028 Intermediate Similarity NPD2935 Discontinued
0.8013 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8013 Intermediate Similarity NPD7819 Suspended
0.8013 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7986 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD1934 Approved
0.7931 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7895 Intermediate Similarity NPD2801 Approved
0.7891 Intermediate Similarity NPD6799 Approved
0.7891 Intermediate Similarity NPD1511 Approved
0.7862 Intermediate Similarity NPD2654 Approved
0.7862 Intermediate Similarity NPD1243 Approved
0.7848 Intermediate Similarity NPD7473 Discontinued
0.7829 Intermediate Similarity NPD6801 Discontinued
0.7821 Intermediate Similarity NPD6959 Discontinued
0.7792 Intermediate Similarity NPD3882 Suspended
0.7792 Intermediate Similarity NPD7768 Phase 2
0.7785 Intermediate Similarity NPD1512 Approved
0.7771 Intermediate Similarity NPD5710 Approved
0.7771 Intermediate Similarity NPD5711 Approved
0.7771 Intermediate Similarity NPD6232 Discontinued
0.7742 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7708 Intermediate Similarity NPD2799 Discontinued
0.7697 Intermediate Similarity NPD6599 Discontinued
0.7687 Intermediate Similarity NPD3750 Approved
0.766 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7655 Intermediate Similarity NPD1551 Phase 2
0.764 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD920 Approved
0.7584 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7562 Intermediate Similarity NPD6166 Phase 2
0.7561 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7552 Intermediate Similarity NPD943 Approved
0.7546 Intermediate Similarity NPD5953 Discontinued
0.7534 Intermediate Similarity NPD6100 Approved
0.7534 Intermediate Similarity NPD6099 Approved
0.7533 Intermediate Similarity NPD7390 Discontinued
0.7532 Intermediate Similarity NPD5494 Approved
0.7516 Intermediate Similarity NPD3749 Approved
0.75 Intermediate Similarity NPD5124 Phase 1
0.75 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD2798 Approved
0.75 Intermediate Similarity NPD3817 Phase 2
0.7483 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD2344 Approved
0.7464 Intermediate Similarity NPD9717 Approved
0.7463 Intermediate Similarity NPD9493 Approved
0.745 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7426 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7286 Phase 2
0.7413 Intermediate Similarity NPD3268 Approved
0.7413 Intermediate Similarity NPD2313 Discontinued
0.7413 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7403 Intermediate Similarity NPD3226 Approved
0.7379 Intermediate Similarity NPD230 Phase 1
0.7378 Intermediate Similarity NPD7074 Phase 3
0.7375 Intermediate Similarity NPD1247 Approved
0.7362 Intermediate Similarity NPD3818 Discontinued
0.7353 Intermediate Similarity NPD9545 Approved
0.7347 Intermediate Similarity NPD3748 Approved
0.7342 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD7054 Approved
0.7305 Intermediate Similarity NPD1203 Approved
0.7289 Intermediate Similarity NPD6559 Discontinued
0.7285 Intermediate Similarity NPD2309 Approved
0.7273 Intermediate Similarity NPD7472 Approved
0.7273 Intermediate Similarity NPD5403 Approved
0.7273 Intermediate Similarity NPD4908 Phase 1
0.7266 Intermediate Similarity NPD422 Phase 1
0.725 Intermediate Similarity NPD919 Approved
0.7239 Intermediate Similarity NPD2403 Approved
0.723 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD6797 Phase 2
0.7219 Intermediate Similarity NPD4628 Phase 3
0.7214 Intermediate Similarity NPD3972 Approved
0.7186 Intermediate Similarity NPD7251 Discontinued
0.7179 Intermediate Similarity NPD7458 Discontinued
0.7169 Intermediate Similarity NPD1729 Discontinued
0.7161 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD6832 Phase 2
0.7143 Intermediate Similarity NPD7808 Phase 3
0.7143 Intermediate Similarity NPD5401 Approved
0.7143 Intermediate Similarity NPD1610 Phase 2
0.7133 Intermediate Similarity NPD2346 Discontinued
0.7126 Intermediate Similarity NPD4360 Phase 2
0.7126 Intermediate Similarity NPD4363 Phase 3
0.7108 Intermediate Similarity NPD5844 Phase 1
0.7105 Intermediate Similarity NPD7003 Approved
0.7086 Intermediate Similarity NPD4361 Phase 2
0.7086 Intermediate Similarity NPD4362 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD3926 Phase 2
0.7067 Intermediate Similarity NPD5406 Approved
0.7067 Intermediate Similarity NPD5404 Approved
0.7067 Intermediate Similarity NPD5408 Approved
0.7067 Intermediate Similarity NPD5405 Approved
0.7063 Intermediate Similarity NPD2797 Approved
0.7063 Intermediate Similarity NPD5402 Approved
0.7063 Intermediate Similarity NPD3267 Approved
0.7063 Intermediate Similarity NPD1164 Approved
0.7063 Intermediate Similarity NPD3266 Approved
0.7055 Intermediate Similarity NPD411 Approved
0.7042 Intermediate Similarity NPD4749 Approved
0.7041 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD447 Suspended
0.7021 Intermediate Similarity NPD1201 Approved
0.7021 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD6005 Phase 3
0.702 Intermediate Similarity NPD6002 Phase 3
0.702 Intermediate Similarity NPD6004 Phase 3
0.702 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7014 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7033 Discontinued
0.7 Intermediate Similarity NPD4626 Approved
0.6993 Remote Similarity NPD1876 Approved
0.6981 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6978 Remote Similarity NPD1548 Phase 1
0.6972 Remote Similarity NPD1608 Approved
0.6966 Remote Similarity NPD9494 Approved
0.6944 Remote Similarity NPD1470 Approved
0.6939 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6939 Remote Similarity NPD1296 Phase 2
0.6939 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6927 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6923 Remote Similarity NPD940 Approved
0.6923 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6923 Remote Similarity NPD846 Approved
0.6908 Remote Similarity NPD1471 Phase 3
0.6908 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6897 Remote Similarity NPD1019 Discontinued
0.6894 Remote Similarity NPD1465 Phase 2
0.6887 Remote Similarity NPD4308 Phase 3
0.6882 Remote Similarity NPD6104 Discontinued
0.6875 Remote Similarity NPD5889 Approved
0.6875 Remote Similarity NPD1283 Approved
0.6875 Remote Similarity NPD3225 Approved
0.6875 Remote Similarity NPD5890 Approved
0.6871 Remote Similarity NPD4625 Phase 3
0.6871 Remote Similarity NPD3027 Phase 3
0.6866 Remote Similarity NPD9266 Approved
0.6866 Remote Similarity NPD74 Approved
0.6861 Remote Similarity NPD1241 Discontinued
0.6859 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6854 Remote Similarity NPD8090 Clinical (unspecified phase)
0.6853 Remote Similarity NPD9269 Phase 2
0.6845 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6832 Remote Similarity NPD37 Approved
0.6824 Remote Similarity NPD3764 Approved
0.6818 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6815 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6815 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6585 Discontinued
0.6809 Remote Similarity NPD1651 Approved
0.6809 Remote Similarity NPD9268 Approved
0.6807 Remote Similarity NPD7229 Phase 3
0.6806 Remote Similarity NPD3600 Clinical (unspecified phase)
0.68 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6791 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6791 Remote Similarity NPD9264 Approved
0.6791 Remote Similarity NPD9267 Approved
0.6791 Remote Similarity NPD9263 Approved
0.6761 Remote Similarity NPD17 Approved
0.6753 Remote Similarity NPD2424 Discontinued
0.675 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6748 Remote Similarity NPD4288 Approved
0.6748 Remote Similarity NPD2296 Approved
0.6735 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6727 Remote Similarity NPD6234 Discontinued
0.6714 Remote Similarity NPD405 Clinical (unspecified phase)
0.6707 Remote Similarity NPD4965 Approved
0.6707 Remote Similarity NPD4967 Phase 2
0.6707 Remote Similarity NPD4966 Approved
0.6705 Remote Similarity NPD4287 Approved
0.6691 Remote Similarity NPD4750 Phase 3
0.669 Remote Similarity NPD4379 Clinical (unspecified phase)
0.669 Remote Similarity NPD5691 Approved
0.6689 Remote Similarity NPD1933 Approved

Structure

External Identifiers

PubChem CID   10914615
ChEMBL   CHEMBL457947
ZINC  

Physicochemical Properties

Molecular Weight:  334.18
ALogP:  0.995
MLogP:  3
XLogP:  3.517
# Rotatable Bonds:  15
Polar Surface Area:  83.83
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  24

Download Data

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