Natural Product: NPC103488

Natural Product ID:  NPC103488
Common Name:   (+)-(S)-Dihydro-Ar-Turmerone
IUPAC Name:   (6S)-2-methyl-6-(4-methylphenyl)heptan-4-one
Synonyms:  
Molecular Formula:   C15H22O
Standard InCHIKey:  FWSUEHMNQCROMJ-ZDUSSCGKSA-N
Standard InCHI:  InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1
Canonical SMILES:  CC(CC(=O)C[C@@H](c1ccc(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
NPO30498 Peltophorum dasyrachis Species Fabaceae Eukaryota PMID[21189039]
NPO24124 Curcuma longa Species Zingiberaceae Eukaryota TM-MC*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT204 Individual Protein Acetylcholinesterase Homo sapiens IC50 = 81500 nM 21189039

  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 NPC103488 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
0.973 High Similarity NPC285716
0.973 High Similarity NPC17408
0.9211 High Similarity NPC157055
0.9167 High Similarity NPC74458
0.9041 High Similarity NPC285679
0.8974 High Similarity NPC230068
0.8846 High Similarity NPC145053
0.8816 High Similarity NPC9796
0.8816 High Similarity NPC298023
0.8718 High Similarity NPC190567
0.8718 High Similarity NPC477703
0.8675 High Similarity NPC298115
0.859 High Similarity NPC272260
0.8537 High Similarity NPC160339
0.8537 High Similarity NPC307
0.8471 Intermediate Similarity NPC133461
0.8462 Intermediate Similarity NPC36342
0.8462 Intermediate Similarity NPC285470
0.8462 Intermediate Similarity NPC2785
0.8434 Intermediate Similarity NPC69057
0.8415 Intermediate Similarity NPC252067
0.8372 Intermediate Similarity NPC153885
0.8354 Intermediate Similarity NPC300205
0.8354 Intermediate Similarity NPC139901
0.8354 Intermediate Similarity NPC151405
0.8333 Intermediate Similarity NPC245966
0.8333 Intermediate Similarity NPC198023
0.8289 Intermediate Similarity NPC271437
0.8276 Intermediate Similarity NPC238219
0.8267 Intermediate Similarity NPC95289
0.825 Intermediate Similarity NPC164086
0.825 Intermediate Similarity NPC95868
0.8228 Intermediate Similarity NPC137847
0.8228 Intermediate Similarity NPC76455
0.8194 Intermediate Similarity NPC88566
0.8182 Intermediate Similarity NPC260233
0.8182 Intermediate Similarity NPC208075
0.8171 Intermediate Similarity NPC197581
0.8161 Intermediate Similarity NPC323420
0.8161 Intermediate Similarity NPC1682
0.8161 Intermediate Similarity NPC155232
0.8161 Intermediate Similarity NPC188844
0.8148 Intermediate Similarity NPC12936
0.8148 Intermediate Similarity NPC273033
0.814 Intermediate Similarity NPC86670
0.814 Intermediate Similarity NPC274455
0.814 Intermediate Similarity NPC277277
0.814 Intermediate Similarity NPC70940
0.814 Intermediate Similarity NPC173413
0.8133 Intermediate Similarity NPC98880
0.8118 Intermediate Similarity NPC157778
0.8101 Intermediate Similarity NPC329318
0.809 Intermediate Similarity NPC185208
0.809 Intermediate Similarity NPC219573
0.8046 Intermediate Similarity NPC284475
0.8046 Intermediate Similarity NPC125226
0.8025 Intermediate Similarity NPC71664
0.8 Intermediate Similarity NPC311343
0.8 Intermediate Similarity NPC239185
0.8 Intermediate Similarity NPC43945
0.7973 Intermediate Similarity NPC178527
0.7955 Intermediate Similarity NPC59677
0.7952 Intermediate Similarity NPC273758
0.7931 Intermediate Similarity NPC110420
0.7931 Intermediate Similarity NPC67585
0.7931 Intermediate Similarity NPC58872
0.7931 Intermediate Similarity NPC303967
0.7927 Intermediate Similarity NPC100039
0.7917 Intermediate Similarity NPC135924
0.7917 Intermediate Similarity NPC248705
0.7917 Intermediate Similarity NPC54368
0.7912 Intermediate Similarity NPC134882
0.7912 Intermediate Similarity NPC75724
0.7912 Intermediate Similarity NPC49994
0.7907 Intermediate Similarity NPC153308
0.7907 Intermediate Similarity NPC267262
0.7882 Intermediate Similarity NPC164526
0.7865 Intermediate Similarity NPC289883
0.7838 Intermediate Similarity NPC155172
0.7838 Intermediate Similarity NPC32312
0.7816 Intermediate Similarity NPC231591
0.7802 Intermediate Similarity NPC265220
0.7791 Intermediate Similarity NPC322387
0.7765 Intermediate Similarity NPC123476
0.7742 Intermediate Similarity NPC109514
0.7742 Intermediate Similarity NPC476993
0.7738 Intermediate Similarity NPC44830
0.7738 Intermediate Similarity NPC215008
0.7738 Intermediate Similarity NPC39600
0.7727 Intermediate Similarity NPC84288
0.7727 Intermediate Similarity NPC19256
0.7711 Intermediate Similarity NPC73978
0.7703 Intermediate Similarity NPC45756
0.7671 Intermediate Similarity NPC210849
0.7654 Intermediate Similarity NPC179726
0.7647 Intermediate Similarity NPC267704
0.7639 Intermediate Similarity NPC8235
0.7632 Intermediate Similarity NPC6107
0.7632 Intermediate Similarity NPC267443
0.7614 Intermediate Similarity NPC113307
0.7614 Intermediate Similarity NPC418308
0.7609 Intermediate Similarity NPC226041
0.7595 Intermediate Similarity NPC54269
0.759 Intermediate Similarity NPC127343
0.7579 Intermediate Similarity NPC247976
0.7568 Intermediate Similarity NPC29680
0.7558 Intermediate Similarity NPC95965
0.7553 Intermediate Similarity NPC225079
0.7529 Intermediate Similarity NPC288903
0.7529 Intermediate Similarity NPC149263
0.7529 Intermediate Similarity NPC324624
0.7527 Intermediate Similarity NPC145052
0.75 Intermediate Similarity NPC113837
0.75 Intermediate Similarity NPC300345
0.75 Intermediate Similarity NPC477693
0.75 Intermediate Similarity NPC120441
0.75 Intermediate Similarity NPC212114
0.75 Intermediate Similarity NPC289915
0.75 Intermediate Similarity NPC65873
0.75 Intermediate Similarity NPC477704
0.75 Intermediate Similarity NPC242628
0.7468 Intermediate Similarity NPC326200
0.7447 Intermediate Similarity NPC476042
0.7447 Intermediate Similarity NPC221825
0.7444 Intermediate Similarity NPC187725
0.7444 Intermediate Similarity NPC103346
0.7444 Intermediate Similarity NPC141607
0.7432 Intermediate Similarity NPC150196
0.7432 Intermediate Similarity NPC310758
0.7432 Intermediate Similarity NPC238023
0.7423 Intermediate Similarity NPC471186
0.7396 Intermediate Similarity NPC474866
0.7396 Intermediate Similarity NPC471829
0.7396 Intermediate Similarity NPC472691
0.7396 Intermediate Similarity NPC475939
0.7391 Intermediate Similarity NPC472880
0.7368 Intermediate Similarity NPC128248
0.7368 Intermediate Similarity NPC136810
0.7368 Intermediate Similarity NPC133809
0.7361 Intermediate Similarity NPC198841
0.7361 Intermediate Similarity NPC269586
0.7356 Intermediate Similarity NPC294134
0.7347 Intermediate Similarity NPC100767
0.734 Intermediate Similarity NPC329387
0.734 Intermediate Similarity NPC317280
0.7326 Intermediate Similarity NPC270507
0.7326 Intermediate Similarity NPC285773
0.732 Intermediate Similarity NPC329282
0.7317 Intermediate Similarity NPC78500
0.7303 Intermediate Similarity NPC473345
0.7303 Intermediate Similarity NPC329064
0.7297 Intermediate Similarity NPC147062
0.7253 Intermediate Similarity NPC86987
0.7253 Intermediate Similarity NPC476484
0.725 Intermediate Similarity NPC226999
0.725 Intermediate Similarity NPC155429
0.725 Intermediate Similarity NPC1008
0.725 Intermediate Similarity NPC135433
0.725 Intermediate Similarity NPC280135
0.725 Intermediate Similarity NPC158028
0.725 Intermediate Similarity NPC87099
0.725 Intermediate Similarity NPC193578
0.725 Intermediate Similarity NPC39799
0.7237 Intermediate Similarity NPC113670
0.7234 Intermediate Similarity NPC477767
0.7229 Intermediate Similarity NPC3190
0.7229 Intermediate Similarity NPC249018
0.7222 Intermediate Similarity NPC325709
0.7222 Intermediate Similarity NPC149436
0.7222 Intermediate Similarity NPC277704
0.7215 Intermediate Similarity NPC16190
0.7215 Intermediate Similarity NPC235059
0.7215 Intermediate Similarity NPC169222
0.7209 Intermediate Similarity NPC323103
0.7209 Intermediate Similarity NPC103387
0.7204 Intermediate Similarity NPC206764
0.72 Intermediate Similarity NPC246588
0.72 Intermediate Similarity NPC470252
0.7195 Intermediate Similarity NPC189371
0.7191 Intermediate Similarity NPC194326
0.7188 Intermediate Similarity NPC472879
0.7188 Intermediate Similarity NPC264728
0.7174 Intermediate Similarity NPC77273
0.7172 Intermediate Similarity NPC244933
0.7172 Intermediate Similarity NPC185763
0.7172 Intermediate Similarity NPC37914
0.7172 Intermediate Similarity NPC472700
0.7172 Intermediate Similarity NPC85560
0.7172 Intermediate Similarity NPC83409
0.7172 Intermediate Similarity NPC472699
0.7162 Intermediate Similarity NPC64270
0.7159 Intermediate Similarity NPC474354
0.7158 Intermediate Similarity NPC120393
0.7143 Intermediate Similarity NPC50192
0.7143 Intermediate Similarity NPC224544
0.7143 Intermediate Similarity NPC26224
0.7128 Intermediate Similarity NPC469893
0.7113 Intermediate Similarity NPC25458
0.7113 Intermediate Similarity NPC304873
0.7105 Intermediate Similarity NPC71009

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC103488 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
0.8434 Intermediate Similarity NPD1087 Approved
0.825 Intermediate Similarity NPD1507 Clinical (unspecified phase)
0.8182 Intermediate Similarity NPD1693 Approved
0.8161 Intermediate Similarity NPD7631 Approved
0.8148 Intermediate Similarity NPD942 Approved
0.814 Intermediate Similarity NPD1089 Approved
0.814 Intermediate Similarity NPD1090 Approved
0.814 Intermediate Similarity NPD1086 Approved
0.8046 Intermediate Similarity NPD7609 Phase 3
0.8023 Intermediate Similarity NPD800 Approved
0.8 Intermediate Similarity NPD3495 Discontinued
0.8 Intermediate Similarity NPD650 Approved
0.7955 Intermediate Similarity NPD1088 Approved
0.7865 Intermediate Similarity NPD5122 Clinical (unspecified phase)
0.7826 Intermediate Similarity NPD2066 Phase 3
0.7778 Intermediate Similarity NPD225 Approved
0.7778 Intermediate Similarity NPD227 Approved
0.7727 Intermediate Similarity NPD3672 Approved
0.7727 Intermediate Similarity NPD3673 Approved
0.7667 Intermediate Similarity NPD1563 Approved
0.7614 Intermediate Similarity NPD5346 Phase 2
0.7614 Intermediate Similarity NPD5347 Phase 2
0.7586 Intermediate Similarity NPD506 Clinical (unspecified phase)
0.7582 Intermediate Similarity NPD4094 Approved
0.7556 Intermediate Similarity NPD1508 Approved
0.75 Intermediate Similarity NPD1989 Approved
0.75 Intermediate Similarity NPD226 Approved
0.7474 Intermediate Similarity NPD2196 Discontinued
0.7474 Intermediate Similarity NPD2648 Phase 3
0.7474 Intermediate Similarity NPD2193 Phase 2
0.747 Intermediate Similarity NPD9490 Approved
0.7444 Intermediate Similarity NPD1239 Approved
0.7419 Intermediate Similarity NPD1566 Phase 3
0.7419 Intermediate Similarity NPD4657 Approved
0.7419 Intermediate Similarity NPD1564 Approved
0.7419 Intermediate Similarity NPD1565 Approved
0.7419 Intermediate Similarity NPD4655 Approved
0.7386 Intermediate Similarity NPD4793 Discontinued
0.7326 Intermediate Similarity NPD9491 Approved
0.7312 Intermediate Similarity NPD1843 Approved
0.7245 Intermediate Similarity NPD1677 Discontinued
0.7237 Intermediate Similarity NPD675 Discontinued
0.7113 Intermediate Similarity NPD1932 Approved
0.7113 Intermediate Similarity NPD6024 Approved
0.7113 Intermediate Similarity NPD6027 Approved
0.7071 Intermediate Similarity NPD2197 Approved
0.7071 Intermediate Similarity NPD2192 Approved
0.7059 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD1099 Approved
0.7053 Intermediate Similarity NPD1100 Approved
0.7041 Intermediate Similarity NPD1930 Approved
0.7041 Intermediate Similarity NPD1929 Approved
0.7041 Intermediate Similarity NPD1931 Clinical (unspecified phase)
0.703 Intermediate Similarity NPD2329 Discontinued
0.701 Intermediate Similarity NPD3135 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1673 Approved
0.6979 Remote Similarity NPD466 Approved
0.697 Remote Similarity NPD5909 Discontinued
0.6966 Remote Similarity NPD5734 Clinical (unspecified phase)
0.6961 Remote Similarity NPD1317 Discontinued
0.6939 Remote Similarity NPD2171 Approved
0.6932 Remote Similarity NPD3971 Phase 1
0.6923 Remote Similarity NPD1101 Approved
0.6869 Remote Similarity NPD3357 Discontinued
0.6857 Remote Similarity NPD7076 Approved
0.6857 Remote Similarity NPD7077 Approved
0.6842 Remote Similarity NPD6049 Phase 2
0.6842 Remote Similarity NPD6048 Clinical (unspecified phase)
0.6842 Remote Similarity NPD688 Clinical (unspecified phase)
0.6804 Remote Similarity NPD253 Approved
0.68 Remote Similarity NPD2577 Clinical (unspecified phase)
0.679 Remote Similarity NPD9497 Clinical (unspecified phase)
0.6786 Remote Similarity NPD9716 Approved
0.6768 Remote Similarity NPD4803 Discontinued
0.6762 Remote Similarity NPD7094 Approved
0.6762 Remote Similarity NPD6858 Approved
0.6735 Remote Similarity NPD742 Approved
0.6733 Remote Similarity NPD1766 Approved
0.6733 Remote Similarity NPD1765 Approved
0.6733 Remote Similarity NPD1767 Approved
0.6733 Remote Similarity NPD1763 Approved
0.6733 Remote Similarity NPD1761 Approved
0.6729 Remote Similarity NPD3317 Approved
0.6709 Remote Similarity NPD173 Clinical (unspecified phase)
0.67 Remote Similarity NPD6647 Phase 2
0.6627 Remote Similarity NPD292 Approved
0.6627 Remote Similarity NPD294 Approved
0.6606 Remote Similarity NPD7610 Discontinued
0.6598 Remote Similarity NPD5206 Clinical (unspecified phase)
0.6571 Remote Similarity NPD3644 Approved
0.6571 Remote Similarity NPD3642 Approved
0.6571 Remote Similarity NPD3643 Approved
0.6566 Remote Similarity NPD7798 Approved
0.6566 Remote Similarity NPD3097 Clinical (unspecified phase)
0.6562 Remote Similarity NPD1409 Phase 3
0.6556 Remote Similarity NPD5288 Clinical (unspecified phase)
0.6545 Remote Similarity NPD7009 Phase 2
0.6535 Remote Similarity NPD5765 Approved
0.6526 Remote Similarity NPD1007 Discontinued
0.6522 Remote Similarity NPD9257 Approved
0.6522 Remote Similarity NPD9259 Approved
0.6517 Remote Similarity NPD3035 Approved
0.6509 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6505 Remote Similarity NPD6685 Approved
0.6495 Remote Similarity NPD4814 Discontinued
0.6471 Remote Similarity NPD1237 Approved
0.6465 Remote Similarity NPD9495 Approved
0.6465 Remote Similarity NPD4263 Approved
0.6465 Remote Similarity NPD4813 Approved
0.6449 Remote Similarity NPD1279 Clinical (unspecified phase)
0.6444 Remote Similarity NPD4170 Approved
0.6444 Remote Similarity NPD4701 Clinical (unspecified phase)
0.6444 Remote Similarity NPD4169 Approved
0.6436 Remote Similarity NPD813 Approved
0.6415 Remote Similarity NPD2181 Clinical (unspecified phase)
0.6408 Remote Similarity NPD5048 Discontinued
0.6408 Remote Similarity NPD1018 Approved
0.6404 Remote Similarity NPD3979 Approved
0.6404 Remote Similarity NPD3904 Approved
0.6404 Remote Similarity NPD3981 Approved
0.6404 Remote Similarity NPD3903 Approved
0.6392 Remote Similarity NPD1202 Approved
0.6392 Remote Similarity NPD1066 Discontinued
0.6392 Remote Similarity NPD845 Approved
0.6389 Remote Similarity NPD2650 Approved
0.6389 Remote Similarity NPD2652 Approved
0.6389 Remote Similarity NPD1280 Clinical (unspecified phase)
0.6374 Remote Similarity NPD2001 Discontinued
0.6374 Remote Similarity NPD4635 Approved
0.6373 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6372 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6364 Remote Similarity NPD9566 Approved
0.6364 Remote Similarity NPD9563 Approved
0.6364 Remote Similarity NPD288 Approved
0.6364 Remote Similarity NPD79 Approved
0.6364 Remote Similarity NPD9564 Approved
0.6339 Remote Similarity NPD1245 Approved
0.6339 Remote Similarity NPD3025 Approved
0.6339 Remote Similarity NPD1651 Approved
0.6339 Remote Similarity NPD3024 Approved
0.6337 Remote Similarity NPD5630 Phase 1
0.633 Remote Similarity NPD1020 Approved
0.633 Remote Similarity NPD1711 Phase 2
0.633 Remote Similarity NPD1023 Approved
0.633 Remote Similarity NPD1021 Approved
0.633 Remote Similarity NPD5951 Approved
0.633 Remote Similarity NPD2508 Discontinued
0.633 Remote Similarity NPD1022 Approved
0.6321 Remote Similarity NPD1752 Approved
0.6321 Remote Similarity NPD4233 Approved
0.6321 Remote Similarity NPD2067 Discontinued
0.6321 Remote Similarity NPD3581 Discontinued
0.6321 Remote Similarity NPD1756 Approved
0.6321 Remote Similarity NPD4234 Approved
0.6311 Remote Similarity NPD164 Approved
0.6304 Remote Similarity NPD4544 Approved
0.63 Remote Similarity NPD5926 Approved
0.6292 Remote Similarity NPD589 Approved
0.6292 Remote Similarity NPD1475 Approved
0.6292 Remote Similarity NPD590 Approved
0.6283 Remote Similarity NPD2932 Approved
0.6283 Remote Similarity NPD3412 Clinical (unspecified phase)
0.6283 Remote Similarity NPD5836 Discontinued
0.6283 Remote Similarity NPD3019 Approved
0.6279 Remote Similarity NPD9589 Approved
0.6279 Remote Similarity NPD9592 Approved
0.6279 Remote Similarity NPD9593 Approved
0.6279 Remote Similarity NPD9594 Approved
0.6279 Remote Similarity NPD80 Approved
0.6279 Remote Similarity NPD9591 Approved
0.6279 Remote Similarity NPD9590 Approved
0.6279 Remote Similarity NPD9588 Approved
0.6277 Remote Similarity NPD1282 Approved
0.6263 Remote Similarity NPD844 Approved
0.625 Remote Similarity NPD4147 Approved
0.625 Remote Similarity NPD4144 Approved
0.625 Remote Similarity NPD9258 Approved
0.625 Remote Similarity NPD9256 Approved
0.6239 Remote Similarity NPD1371 Approved
0.6239 Remote Similarity NPD1370 Approved
0.6239 Remote Similarity NPD1374 Approved
0.6239 Remote Similarity NPD1373 Approved
0.6237 Remote Similarity NPD2205 Approved
0.6237 Remote Similarity NPD2208 Approved
0.6228 Remote Similarity NPD3026 Approved
0.6228 Remote Similarity NPD3023 Approved
0.6226 Remote Similarity NPD2182 Approved
0.6226 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6224 Remote Similarity NPD3719 Approved
0.6224 Remote Similarity NPD3718 Approved
0.6222 Remote Similarity NPD260 Discontinued
0.6222 Remote Similarity NPD1617 Discontinued
0.6216 Remote Similarity NPD4576 Approved
0.6216 Remote Similarity NPD4574 Approved
0.6214 Remote Similarity NPD5700 Clinical (unspecified phase)
0.6211 Remote Similarity NPD531 Approved
0.6204 Remote Similarity NPD2124 Approved
0.6195 Remote Similarity NPD5981 Approved
0.619 Remote Similarity NPD467 Phase 1
0.6186 Remote Similarity NPD530 Approved

Structure

External Identifiers

PubChem CID   13970960
ChEMBL   CHEMBL1668334
ZINC  

Physicochemical Properties

Molecular Weight:  218.17
ALogP:  1.1541
MLogP:  3
XLogP:  6.075
# Rotatable Bonds:  9
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