Natural Product: NPC32351

Natural Product ID:  NPC32351
Common Name:   Turmerone
IUPAC Name:   (6S)-2-methyl-6-(4-methylcyclohexa-1,4-dien-1-yl)hept-2-en-4-one
Synonyms:  
Molecular Formula:   C15H22O
Standard InCHIKey:  FZPYMZUVXJUAQA-ZDUSSCGKSA-N
Standard InCHI:  InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,8-9,13H,6-7,10H2,1-4H3/t13-/m0/s1
Canonical SMILES:  CC(=CC(=O)C[C@@H](C1=CCC(=CC1)C)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
NPO9241 Adiantum capillus-veneris Species Pteridaceae Eukaryota UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*
NPO16101 Gleditsia triacanthos Species Fabaceae Eukaryota TCMID*
NPO7191 Mimosa pudica Species Fabaceae Eukaryota TCMID*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota TCMID*
NPO1079 Vachellia karroo Species Fabaceae Eukaryota TCMID*
NPO3634 Robinia pseudoacacia Species Fabaceae Eukaryota TCMID*
NPO19855 Oxalis acetosella Species Oxalidaceae Eukaryota TCMID*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TCMID*
NPO25209 Curcuma aromatica Species Zingiberaceae Eukaryota TCMID*
NPO3532 Tridentata marginata NA NA NA UNPD*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota rhizome PMID[12617587]
NPO3251 Jacobaea maritima Species Asteraceae Eukaryota UNPD*
NPO7308 Fraxinus quadrangulata Species Oleaceae Eukaryota UNPD*
NPO16101 Gleditsia triacanthos Species Fabaceae Eukaryota HerDing*
NPO19855 Oxalis acetosella Species Oxalidaceae Eukaryota HerDing*
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota HerDing*
NPO25209 Curcuma aromatica Species Zingiberaceae Eukaryota HerDing*
NPO30920 Acacia karroo Species Fabaceae Eukaryota HerDing*
NPO3634 Robinia pseudoacacia Species Fabaceae Eukaryota HerDing*
NPO7191 Mimosa pudica Species Fabaceae Eukaryota HerDing*
NPO7929 Curcuma zedoaria Species Zingiberaceae Eukaryota HerDing*
NPO25160 Goniothalamus borneensis Species Annonaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2564 Organism Blumeria graminis Blumeria graminis Activity = 0 % 12617587
NPT829 Organism Puccinia recondita Puccinia recondita Activity = 0 % 12617587
NPT825 Organism Phytophthora infestans Phytophthora infestans Activity = 0 % 12617587
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana Activity = 0 % 12617587
NPT529 Organism Rhizoctonia solani Rhizoctonia solani Activity = 0 % 12617587
NPT1198 Organism Magnaporthe grisea Magnaporthe grisea Activity = 0 % 12617587

  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 NPC32351 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
0.9388 High Similarity NPC268564
0.9167 High Similarity NPC163984
0.9167 High Similarity NPC176819
0.9167 High Similarity NPC58970
0.9149 High Similarity NPC91962
0.898 High Similarity NPC64866
0.8936 High Similarity NPC14917
0.8936 High Similarity NPC236355
0.8936 High Similarity NPC4079
0.8913 High Similarity NPC25771
0.8846 High Similarity NPC473733
0.8696 High Similarity NPC292463
0.8542 High Similarity NPC262558
0.8542 High Similarity NPC8610
0.8519 High Similarity NPC311852
0.8364 Intermediate Similarity NPC276764
0.8364 Intermediate Similarity NPC472304
0.8333 Intermediate Similarity NPC166788
0.8302 Intermediate Similarity NPC275472
0.8269 Intermediate Similarity NPC45283
0.8269 Intermediate Similarity NPC23117
0.8269 Intermediate Similarity NPC474141
0.8269 Intermediate Similarity NPC37644
0.8235 Intermediate Similarity NPC27438
0.8214 Intermediate Similarity NPC127582
0.8182 Intermediate Similarity NPC308108
0.8182 Intermediate Similarity NPC56905
0.8182 Intermediate Similarity NPC27610
0.8182 Intermediate Similarity NPC170799
0.8113 Intermediate Similarity NPC209431
0.8113 Intermediate Similarity NPC100809
0.8077 Intermediate Similarity NPC471751
0.807 Intermediate Similarity NPC213152
0.8039 Intermediate Similarity NPC228776
0.8 Intermediate Similarity NPC193695
0.8 Intermediate Similarity NPC115385
0.7959 Intermediate Similarity NPC191337
0.7931 Intermediate Similarity NPC165695
0.7925 Intermediate Similarity NPC14002
0.7917 Intermediate Similarity NPC301972
0.7857 Intermediate Similarity NPC94991
0.7857 Intermediate Similarity NPC266295
0.7843 Intermediate Similarity NPC145311
0.7818 Intermediate Similarity NPC20603
0.78 Intermediate Similarity NPC276009
0.78 Intermediate Similarity NPC195246
0.78 Intermediate Similarity NPC22098
0.78 Intermediate Similarity NPC100380
0.7797 Intermediate Similarity NPC6697
0.7797 Intermediate Similarity NPC475124
0.7797 Intermediate Similarity NPC212210
0.7797 Intermediate Similarity NPC285371
0.7797 Intermediate Similarity NPC150162
0.7778 Intermediate Similarity NPC202850
0.7778 Intermediate Similarity NPC5626
0.7778 Intermediate Similarity NPC63396
0.7755 Intermediate Similarity NPC477686
0.7719 Intermediate Similarity NPC285594
0.7719 Intermediate Similarity NPC259261
0.7719 Intermediate Similarity NPC143834
0.7719 Intermediate Similarity NPC96551
0.7692 Intermediate Similarity NPC116906
0.7692 Intermediate Similarity NPC15325
0.7692 Intermediate Similarity NPC118788
0.7667 Intermediate Similarity NPC251118
0.7627 Intermediate Similarity NPC32285
0.7627 Intermediate Similarity NPC288253
0.7593 Intermediate Similarity NPC296311
0.7586 Intermediate Similarity NPC25853
0.7544 Intermediate Similarity NPC30215
0.75 Intermediate Similarity NPC4638
0.7458 Intermediate Similarity NPC97322
0.7451 Intermediate Similarity NPC471752
0.7419 Intermediate Similarity NPC475523
0.7391 Intermediate Similarity NPC185839
0.7377 Intermediate Similarity NPC470329
0.7368 Intermediate Similarity NPC192427
0.7368 Intermediate Similarity NPC49575
0.7368 Intermediate Similarity NPC267626
0.7368 Intermediate Similarity NPC55004
0.7368 Intermediate Similarity NPC230823
0.7333 Intermediate Similarity NPC197238
0.7333 Intermediate Similarity NPC167256
0.7333 Intermediate Similarity NPC202118
0.7321 Intermediate Similarity NPC188789
0.7302 Intermediate Similarity NPC260474
0.7302 Intermediate Similarity NPC188292
0.7302 Intermediate Similarity NPC310992
0.7302 Intermediate Similarity NPC155198
0.7302 Intermediate Similarity NPC87141
0.7292 Intermediate Similarity NPC111474
0.7292 Intermediate Similarity NPC113082
0.7273 Intermediate Similarity NPC69898
0.7273 Intermediate Similarity NPC295777
0.7234 Intermediate Similarity NPC155880
0.7234 Intermediate Similarity NPC92863
0.7234 Intermediate Similarity NPC180840
0.7222 Intermediate Similarity NPC236623
0.7213 Intermediate Similarity NPC473902
0.7213 Intermediate Similarity NPC469662
0.72 Intermediate Similarity NPC216921
0.72 Intermediate Similarity NPC106819
0.7188 Intermediate Similarity NPC256846
0.7188 Intermediate Similarity NPC469914
0.7188 Intermediate Similarity NPC474060
0.7188 Intermediate Similarity NPC139397
0.7174 Intermediate Similarity NPC38497
0.7167 Intermediate Similarity NPC475795
0.7167 Intermediate Similarity NPC60565
0.7143 Intermediate Similarity NPC250539
0.7091 Intermediate Similarity NPC216407
0.7083 Intermediate Similarity NPC217923
0.7077 Intermediate Similarity NPC35734
0.7077 Intermediate Similarity NPC2634
0.7077 Intermediate Similarity NPC260040
0.7077 Intermediate Similarity NPC307176
0.7077 Intermediate Similarity NPC159577
0.7077 Intermediate Similarity NPC265782
0.7077 Intermediate Similarity NPC282593
0.7077 Intermediate Similarity NPC251929
0.7059 Intermediate Similarity NPC114841
0.7021 Intermediate Similarity NPC190810
0.7021 Intermediate Similarity NPC34764
0.7021 Intermediate Similarity NPC76145
0.7018 Intermediate Similarity NPC200258
0.6981 Remote Similarity NPC324812
0.697 Remote Similarity NPC181204
0.697 Remote Similarity NPC54123
0.697 Remote Similarity NPC474562
0.697 Remote Similarity NPC115023
0.697 Remote Similarity NPC190035
0.6949 Remote Similarity NPC60772
0.6923 Remote Similarity NPC136473
0.6909 Remote Similarity NPC234829
0.6909 Remote Similarity NPC30433
0.6909 Remote Similarity NPC477458
0.6875 Remote Similarity NPC139717
0.6875 Remote Similarity NPC297643
0.6875 Remote Similarity NPC290350
0.6875 Remote Similarity NPC4370
0.6875 Remote Similarity NPC269985
0.6875 Remote Similarity NPC229262
0.6866 Remote Similarity NPC470045
0.6866 Remote Similarity NPC109576
0.6866 Remote Similarity NPC56747
0.6866 Remote Similarity NPC130016
0.6866 Remote Similarity NPC276336
0.6866 Remote Similarity NPC470044
0.6866 Remote Similarity NPC186042
0.6866 Remote Similarity NPC180015
0.6866 Remote Similarity NPC474228
0.6866 Remote Similarity NPC303613
0.6866 Remote Similarity NPC251705
0.6842 Remote Similarity NPC95581
0.6833 Remote Similarity NPC473494
0.6825 Remote Similarity NPC61473
0.6825 Remote Similarity NPC474304
0.6825 Remote Similarity NPC474329
0.6818 Remote Similarity NPC151045
0.6818 Remote Similarity NPC246722
0.6786 Remote Similarity NPC22182
0.678 Remote Similarity NPC165808
0.6774 Remote Similarity NPC477707
0.6774 Remote Similarity NPC477830
0.6774 Remote Similarity NPC57463
0.6774 Remote Similarity NPC151728
0.6774 Remote Similarity NPC472306
0.6774 Remote Similarity NPC190049
0.6774 Remote Similarity NPC322457
0.6769 Remote Similarity NPC142754
0.6769 Remote Similarity NPC469679
0.6769 Remote Similarity NPC82477
0.6769 Remote Similarity NPC20610
0.6769 Remote Similarity NPC39157
0.6769 Remote Similarity NPC469688
0.6769 Remote Similarity NPC296697
0.6765 Remote Similarity NPC215050
0.6765 Remote Similarity NPC309852
0.6739 Remote Similarity NPC12889
0.6731 Remote Similarity NPC471753
0.6727 Remote Similarity NPC474391
0.6719 Remote Similarity NPC100719
0.6719 Remote Similarity NPC323005
0.6719 Remote Similarity NPC166791
0.6719 Remote Similarity NPC322035
0.6719 Remote Similarity NPC197089
0.6716 Remote Similarity NPC234707
0.6716 Remote Similarity NPC133253
0.6716 Remote Similarity NPC225467
0.6716 Remote Similarity NPC5701
0.6716 Remote Similarity NPC21944
0.6667 Remote Similarity NPC65650
0.6667 Remote Similarity NPC476346
0.6667 Remote Similarity NPC114236
0.6667 Remote Similarity NPC477449
0.6667 Remote Similarity NPC474400
0.6667 Remote Similarity NPC182815
0.6667 Remote Similarity NPC473171
0.6667 Remote Similarity NPC477448
0.6667 Remote Similarity NPC293803

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC32351 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
0.8182 Intermediate Similarity NPD287 Approved
0.7258 Intermediate Similarity NPD7331 Phase 2
0.7188 Intermediate Similarity NPD4137 Phase 3
0.7083 Intermediate Similarity NPD5783 Phase 3
0.7077 Intermediate Similarity NPD4747 Approved
0.7077 Intermediate Similarity NPD4691 Approved
0.7021 Intermediate Similarity NPD319 Phase 1
0.697 Remote Similarity NPD5276 Approved
0.6825 Remote Similarity NPD7341 Phase 2
0.6769 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6765 Remote Similarity NPD4687 Approved
0.6765 Remote Similarity NPD5733 Approved
0.6765 Remote Similarity NPD4058 Approved
0.6724 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6508 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6462 Remote Similarity NPD6108 Clinical (unspecified phase)
0.623 Remote Similarity NPD8779 Phase 3
0.6216 Remote Similarity NPD4695 Discontinued
0.6094 Remote Similarity NPD4193 Approved
0.6094 Remote Similarity NPD4191 Approved
0.6094 Remote Similarity NPD4194 Approved
0.6094 Remote Similarity NPD4192 Approved
0.6053 Remote Similarity NPD4223 Phase 3
0.6053 Remote Similarity NPD4221 Approved
0.6 Remote Similarity NPD3174 Discontinued
0.6 Remote Similarity NPD8259 Clinical (unspecified phase)
0.5974 Remote Similarity NPD3527 Clinical (unspecified phase)
0.5921 Remote Similarity NPD8028 Phase 2
0.5902 Remote Similarity NPD342 Phase 1
0.5897 Remote Similarity NPD3666 Approved
0.5897 Remote Similarity NPD4197 Approved
0.5897 Remote Similarity NPD3133 Approved
0.5897 Remote Similarity NPD3665 Phase 1
0.5823 Remote Similarity NPD5329 Approved
0.5763 Remote Similarity NPD29 Approved
0.5763 Remote Similarity NPD28 Approved
0.575 Remote Similarity NPD5690 Phase 2
0.575 Remote Similarity NPD6684 Approved
0.575 Remote Similarity NPD4689 Approved
0.575 Remote Similarity NPD7521 Approved
0.575 Remote Similarity NPD4693 Phase 3
0.575 Remote Similarity NPD6409 Approved
0.575 Remote Similarity NPD3618 Phase 1
0.575 Remote Similarity NPD4519 Discontinued
0.575 Remote Similarity NPD7146 Approved
0.575 Remote Similarity NPD4623 Approved
0.575 Remote Similarity NPD4690 Approved
0.575 Remote Similarity NPD4138 Approved
0.575 Remote Similarity NPD5330 Approved
0.575 Remote Similarity NPD5279 Phase 3
0.575 Remote Similarity NPD4694 Approved
0.575 Remote Similarity NPD5205 Approved
0.575 Remote Similarity NPD5280 Approved
0.575 Remote Similarity NPD4688 Approved
0.575 Remote Similarity NPD7334 Approved
0.5738 Remote Similarity NPD539 Approved
0.5735 Remote Similarity NPD3704 Approved
0.5733 Remote Similarity NPD3617 Approved
0.569 Remote Similarity NPD3173 Approved
0.5679 Remote Similarity NPD3573 Approved
0.5652 Remote Similarity NPD3709 Clinical (unspecified phase)
0.5641 Remote Similarity NPD3667 Approved
0.5625 Remote Similarity NPD1694 Approved
0.561 Remote Similarity NPD5208 Approved
0.561 Remote Similarity NPD6903 Approved
0.561 Remote Similarity NPD7513 Clinical (unspecified phase)
0.561 Remote Similarity NPD6672 Approved
0.561 Remote Similarity NPD5737 Approved
0.561 Remote Similarity NPD4518 Approved
0.5606 Remote Similarity NPD368 Approved
0.56 Remote Similarity NPD4756 Discovery

Structure

External Identifiers

PubChem CID   14367555
ChEMBL   CHEMBL2272665
ZINC  

Physicochemical Properties

Molecular Weight:  218.17
ALogP:  3.1827
MLogP:  3
XLogP:  3.687
# Rotatable Bonds:  8
Polar Surface Area:  17.07
# H-Bond Aceptor:  1
# H-Bond Donor:  0
# Rings:  1
# Heavy Atoms:  16

Download Data

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