Natural Product: NPC45264

Natural Product ID:  NPC45264
Common Name:   Crocusatin L
IUPAC Name:   2-hydroxy-4-(hydroxymethyl)-3,5,5-trimethylcyclohex-3-en-1-one
Synonyms:   Crocusatin L
Molecular Formula:   C10H16O3
Standard InCHIKey:  HIZMOSZXHSNYFG-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H16O3/c1-6-7(5-11)10(2,3)4-8(12)9(6)13/h9,11,13H,4-5H2,1-3H3
Canonical SMILES:  OCC1=C(C)C(O)C(=O)CC1(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
NPO9445 Crocus sativus Species Iridaceae Eukaryota TCMID*
NPO15308 Stigma croci NA NA NA TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT43 Individual Protein Tyrosinase Agaricus bisporus IC50 = 1000000 nM 15043425
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 14.3 % 15043425
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 6.3 % 15043425
NPT43 Individual Protein Tyrosinase Agaricus bisporus Inhibition = 1.5 % 15043425

  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 NPC45264 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
0.8286 Intermediate Similarity NPC173321
0.7895 Intermediate Similarity NPC281138
0.7867 Intermediate Similarity NPC74995
0.7857 Intermediate Similarity NPC96962
0.7826 Intermediate Similarity NPC287339
0.7808 Intermediate Similarity NPC186042
0.7794 Intermediate Similarity NPC83200
0.7792 Intermediate Similarity NPC104120
0.7792 Intermediate Similarity NPC148685
0.7792 Intermediate Similarity NPC157895
0.7763 Intermediate Similarity NPC475994
0.7703 Intermediate Similarity NPC215050
0.7692 Intermediate Similarity NPC101012
0.7681 Intermediate Similarity NPC323424
0.7681 Intermediate Similarity NPC96793
0.7662 Intermediate Similarity NPC152061
0.7662 Intermediate Similarity NPC308038
0.7625 Intermediate Similarity NPC40687
0.7625 Intermediate Similarity NPC227132
0.7606 Intermediate Similarity NPC269985
0.7568 Intermediate Similarity NPC29542
0.7568 Intermediate Similarity NPC201562
0.7568 Intermediate Similarity NPC323437
0.7564 Intermediate Similarity NPC172013
0.7561 Intermediate Similarity NPC220930
0.7561 Intermediate Similarity NPC272039
0.7532 Intermediate Similarity NPC62336
0.75 Intermediate Similarity NPC105173
0.75 Intermediate Similarity NPC169941
0.75 Intermediate Similarity NPC251475
0.75 Intermediate Similarity NPC263582
0.7436 Intermediate Similarity NPC246458
0.7403 Intermediate Similarity NPC203403
0.7403 Intermediate Similarity NPC197659
0.7375 Intermediate Similarity NPC93590
0.7375 Intermediate Similarity NPC48362
0.7368 Intermediate Similarity NPC474011
0.7368 Intermediate Similarity NPC114236
0.7368 Intermediate Similarity NPC474885
0.7361 Intermediate Similarity NPC106613
0.7342 Intermediate Similarity NPC306095
0.7342 Intermediate Similarity NPC471514
0.7333 Intermediate Similarity NPC247586
0.7317 Intermediate Similarity NPC476426
0.7308 Intermediate Similarity NPC231739
0.7308 Intermediate Similarity NPC297996
0.7308 Intermediate Similarity NPC478122
0.7284 Intermediate Similarity NPC110150
0.7284 Intermediate Similarity NPC66764
0.7273 Intermediate Similarity NPC250621
0.7273 Intermediate Similarity NPC469646
0.726 Intermediate Similarity NPC117804
0.725 Intermediate Similarity NPC470298
0.725 Intermediate Similarity NPC6663
0.7237 Intermediate Similarity NPC470299
0.7229 Intermediate Similarity NPC322159
0.7229 Intermediate Similarity NPC472985
0.7229 Intermediate Similarity NPC472986
0.7229 Intermediate Similarity NPC198761
0.7229 Intermediate Similarity NPC470955
0.7229 Intermediate Similarity NPC472974
0.7229 Intermediate Similarity NPC202394
0.7215 Intermediate Similarity NPC7232
0.7215 Intermediate Similarity NPC19900
0.7209 Intermediate Similarity NPC172101
0.72 Intermediate Similarity NPC84790
0.72 Intermediate Similarity NPC474884
0.7195 Intermediate Similarity NPC230527
0.7195 Intermediate Similarity NPC476412
0.7195 Intermediate Similarity NPC7927
0.7179 Intermediate Similarity NPC476007
0.7179 Intermediate Similarity NPC86917
0.7179 Intermediate Similarity NPC82666
0.7176 Intermediate Similarity NPC472973
0.7164 Intermediate Similarity NPC48891
0.7162 Intermediate Similarity NPC10758
0.7162 Intermediate Similarity NPC250928
0.716 Intermediate Similarity NPC158411
0.716 Intermediate Similarity NPC38796
0.7159 Intermediate Similarity NPC272617
0.7143 Intermediate Similarity NPC475251
0.7125 Intermediate Similarity NPC45495
0.7123 Intermediate Similarity NPC114651
0.7123 Intermediate Similarity NPC472875
0.7108 Intermediate Similarity NPC36350
0.7108 Intermediate Similarity NPC474853
0.7108 Intermediate Similarity NPC70685
0.7108 Intermediate Similarity NPC52628
0.7108 Intermediate Similarity NPC474083
0.7108 Intermediate Similarity NPC471224
0.7108 Intermediate Similarity NPC274724
0.7108 Intermediate Similarity NPC179006
0.7108 Intermediate Similarity NPC15807
0.7105 Intermediate Similarity NPC261316
0.7105 Intermediate Similarity NPC49737
0.7105 Intermediate Similarity NPC275098
0.7093 Intermediate Similarity NPC134321
0.7093 Intermediate Similarity NPC230332
0.7089 Intermediate Similarity NPC178852
0.7083 Intermediate Similarity NPC474329
0.7083 Intermediate Similarity NPC474304
0.7073 Intermediate Similarity NPC64600
0.7067 Intermediate Similarity NPC34834
0.7067 Intermediate Similarity NPC286154
0.7059 Intermediate Similarity NPC474854
0.7059 Intermediate Similarity NPC476796
0.7059 Intermediate Similarity NPC307298
0.7059 Intermediate Similarity NPC53454
0.7051 Intermediate Similarity NPC1973
0.7051 Intermediate Similarity NPC470525
0.7051 Intermediate Similarity NPC167873
0.7027 Intermediate Similarity NPC96484
0.7024 Intermediate Similarity NPC327115
0.7024 Intermediate Similarity NPC20688
0.7024 Intermediate Similarity NPC194417
0.7024 Intermediate Similarity NPC473226
0.7024 Intermediate Similarity NPC82979
0.7013 Intermediate Similarity NPC144995
0.7013 Intermediate Similarity NPC227814
0.7013 Intermediate Similarity NPC206875
0.7011 Intermediate Similarity NPC116726
0.7011 Intermediate Similarity NPC472978
0.7011 Intermediate Similarity NPC475441
0.7011 Intermediate Similarity NPC107690
0.7011 Intermediate Similarity NPC63748
0.7 Intermediate Similarity NPC258231
0.7 Intermediate Similarity NPC229204
0.6986 Remote Similarity NPC326310
0.6977 Remote Similarity NPC123912
0.6977 Remote Similarity NPC214387
0.6977 Remote Similarity NPC472983
0.6977 Remote Similarity NPC472970
0.6977 Remote Similarity NPC473100
0.6977 Remote Similarity NPC472971
0.6974 Remote Similarity NPC95863
0.6974 Remote Similarity NPC477792
0.6966 Remote Similarity NPC476245
0.6962 Remote Similarity NPC137547
0.6962 Remote Similarity NPC97173
0.6962 Remote Similarity NPC85105
0.6962 Remote Similarity NPC471061
0.6962 Remote Similarity NPC149550
0.6962 Remote Similarity NPC211279
0.6962 Remote Similarity NPC325946
0.6951 Remote Similarity NPC103486
0.6951 Remote Similarity NPC279186
0.6941 Remote Similarity NPC287079
0.6933 Remote Similarity NPC473893
0.6933 Remote Similarity NPC136473
0.6933 Remote Similarity NPC474248
0.6933 Remote Similarity NPC471560
0.6932 Remote Similarity NPC472930
0.6932 Remote Similarity NPC470254
0.6932 Remote Similarity NPC69454
0.6914 Remote Similarity NPC271104
0.6914 Remote Similarity NPC74086
0.6905 Remote Similarity NPC187529
0.6905 Remote Similarity NPC79573
0.6905 Remote Similarity NPC32037
0.6901 Remote Similarity NPC260573
0.6901 Remote Similarity NPC68679
0.6901 Remote Similarity NPC207007
0.6901 Remote Similarity NPC321867
0.6897 Remote Similarity NPC113393
0.6897 Remote Similarity NPC477149
0.6897 Remote Similarity NPC128672
0.6897 Remote Similarity NPC477147
0.6897 Remote Similarity NPC473099
0.6897 Remote Similarity NPC48010
0.6875 Remote Similarity NPC321180
0.6875 Remote Similarity NPC239098
0.6867 Remote Similarity NPC258985
0.6867 Remote Similarity NPC476983
0.6867 Remote Similarity NPC477786
0.6867 Remote Similarity NPC278648
0.6867 Remote Similarity NPC477784
0.6867 Remote Similarity NPC476082
0.6867 Remote Similarity NPC477785
0.686 Remote Similarity NPC230387
0.6857 Remote Similarity NPC122239
0.6854 Remote Similarity NPC181393
0.6854 Remote Similarity NPC472977
0.6854 Remote Similarity NPC217624
0.6854 Remote Similarity NPC184870
0.6854 Remote Similarity NPC474882
0.6854 Remote Similarity NPC196227
0.6854 Remote Similarity NPC472976
0.6849 Remote Similarity NPC61473
0.6835 Remote Similarity NPC92080
0.6835 Remote Similarity NPC7629
0.6835 Remote Similarity NPC151622
0.6829 Remote Similarity NPC475944
0.6829 Remote Similarity NPC136150
0.6829 Remote Similarity NPC473420
0.6829 Remote Similarity NPC14151
0.6824 Remote Similarity NPC250981
0.6824 Remote Similarity NPC51014
0.6824 Remote Similarity NPC469994
0.6824 Remote Similarity NPC229717
0.6824 Remote Similarity NPC94666

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC45264 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
0.7531 Intermediate Similarity NPD1696 Phase 3
0.6914 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6901 Remote Similarity NPD368 Approved
0.6849 Remote Similarity NPD7341 Phase 2
0.6824 Remote Similarity NPD5279 Phase 3
0.6757 Remote Similarity NPD3704 Approved
0.6757 Remote Similarity NPD7331 Phase 2
0.6747 Remote Similarity NPD3667 Approved
0.6667 Remote Similarity NPD3617 Approved
0.6667 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6628 Remote Similarity NPD3618 Phase 1
0.6591 Remote Similarity NPD5328 Approved
0.6588 Remote Similarity NPD3666 Approved
0.6588 Remote Similarity NPD4786 Approved
0.6588 Remote Similarity NPD3665 Phase 1
0.6588 Remote Similarity NPD3133 Approved
0.6526 Remote Similarity NPD5211 Phase 2
0.6522 Remote Similarity NPD342 Phase 1
0.6522 Remote Similarity NPD5221 Approved
0.6522 Remote Similarity NPD4697 Phase 3
0.6522 Remote Similarity NPD5222 Approved
0.6522 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6506 Remote Similarity NPD4695 Discontinued
0.65 Remote Similarity NPD8264 Approved
0.6471 Remote Similarity NPD6110 Phase 1
0.6452 Remote Similarity NPD5173 Approved
0.6452 Remote Similarity NPD4755 Approved
0.6444 Remote Similarity NPD6079 Approved
0.6429 Remote Similarity NPD4219 Approved
0.6404 Remote Similarity NPD4753 Phase 2
0.6392 Remote Similarity NPD5141 Approved
0.6351 Remote Similarity NPD2664 Clinical (unspecified phase)
0.6316 Remote Similarity NPD4700 Approved
0.6316 Remote Similarity NPD5286 Approved
0.6316 Remote Similarity NPD5285 Approved
0.6316 Remote Similarity NPD4696 Approved
0.6296 Remote Similarity NPD8039 Approved
0.6264 Remote Similarity NPD7515 Phase 2
0.625 Remote Similarity NPD4519 Discontinued
0.625 Remote Similarity NPD4623 Approved
0.625 Remote Similarity NPD5223 Approved
0.6207 Remote Similarity NPD4197 Approved
0.6196 Remote Similarity NPD5778 Approved
0.6196 Remote Similarity NPD5779 Approved
0.6196 Remote Similarity NPD4202 Approved
0.6186 Remote Similarity NPD5224 Approved
0.6186 Remote Similarity NPD5225 Approved
0.6186 Remote Similarity NPD5226 Approved
0.6186 Remote Similarity NPD4633 Approved
0.6163 Remote Similarity NPD4270 Approved
0.6163 Remote Similarity NPD4269 Approved
0.6145 Remote Similarity NPD4756 Discovery
0.6136 Remote Similarity NPD5329 Approved
0.6136 Remote Similarity NPD1694 Approved
0.6122 Remote Similarity NPD5174 Approved
0.6122 Remote Similarity NPD5175 Approved
0.6122 Remote Similarity NPD4754 Approved
0.6118 Remote Similarity NPD4820 Approved
0.6118 Remote Similarity NPD4819 Approved
0.6118 Remote Similarity NPD4822 Approved
0.6118 Remote Similarity NPD4821 Approved
0.6092 Remote Similarity NPD5332 Approved
0.6092 Remote Similarity NPD5331 Approved
0.6092 Remote Similarity NPD5362 Discontinued
0.6092 Remote Similarity NPD7154 Phase 3
0.6087 Remote Similarity NPD6411 Approved
0.6081 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6071 Remote Similarity NPD7322 Clinical (unspecified phase)
0.6071 Remote Similarity NPD4268 Approved
0.6071 Remote Similarity NPD4271 Approved
0.6067 Remote Similarity NPD4694 Approved
0.6067 Remote Similarity NPD5690 Phase 2
0.6067 Remote Similarity NPD5786 Approved
0.6067 Remote Similarity NPD5280 Approved
0.6064 Remote Similarity NPD5210 Approved
0.6064 Remote Similarity NPD4629 Approved
0.6056 Remote Similarity NPD4627 Clinical (unspecified phase)
0.6053 Remote Similarity NPD3197 Phase 1
0.6047 Remote Similarity NPD4139 Approved
0.6047 Remote Similarity NPD4790 Discontinued
0.6047 Remote Similarity NPD4692 Approved
0.6024 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6023 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6023 Remote Similarity NPD3668 Phase 3
0.6 Remote Similarity NPD4192 Approved
0.6 Remote Similarity NPD4194 Approved
0.6 Remote Similarity NPD4193 Approved
0.6 Remote Similarity NPD4768 Approved
0.6 Remote Similarity NPD6675 Approved
0.6 Remote Similarity NPD7645 Phase 2
0.6 Remote Similarity NPD5739 Approved
0.6 Remote Similarity NPD7128 Approved
0.6 Remote Similarity NPD6402 Approved
0.6 Remote Similarity NPD4191 Approved
0.6 Remote Similarity NPD4767 Approved
0.6 Remote Similarity NPD6929 Approved
0.5979 Remote Similarity NPD7639 Approved
0.5979 Remote Similarity NPD7640 Approved
0.5978 Remote Similarity NPD5785 Approved
0.5977 Remote Similarity NPD4800 Clinical (unspecified phase)
0.5977 Remote Similarity NPD4221 Approved
0.5977 Remote Similarity NPD4223 Phase 3
0.5976 Remote Similarity NPD6926 Approved
0.5976 Remote Similarity NPD6924 Approved
0.5957 Remote Similarity NPD7748 Approved
0.5955 Remote Similarity NPD5363 Approved
0.5952 Remote Similarity NPD6925 Approved
0.5952 Remote Similarity NPD5776 Phase 2
0.5941 Remote Similarity NPD5701 Approved
0.5941 Remote Similarity NPD5697 Approved
0.5938 Remote Similarity NPD6083 Phase 2
0.5938 Remote Similarity NPD6084 Phase 2
0.593 Remote Similarity NPD5368 Approved
0.593 Remote Similarity NPD7332 Phase 2
0.593 Remote Similarity NPD6930 Phase 2
0.593 Remote Similarity NPD5790 Clinical (unspecified phase)
0.593 Remote Similarity NPD6931 Approved
0.593 Remote Similarity NPD4252 Approved
0.593 Remote Similarity NPD7514 Phase 3
0.5915 Remote Similarity NPD3729 Clinical (unspecified phase)
0.5914 Remote Similarity NPD7637 Suspended
0.5904 Remote Similarity NPD6942 Approved
0.5904 Remote Similarity NPD7339 Approved
0.5895 Remote Similarity NPD5695 Phase 3
0.5889 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5882 Remote Similarity NPD4730 Approved
0.5882 Remote Similarity NPD5128 Approved
0.5882 Remote Similarity NPD7320 Approved
0.5882 Remote Similarity NPD6881 Approved
0.5882 Remote Similarity NPD5168 Approved
0.5882 Remote Similarity NPD6011 Approved
0.5882 Remote Similarity NPD6899 Approved
0.5882 Remote Similarity NPD4729 Approved
0.5882 Remote Similarity NPD7145 Approved
0.5876 Remote Similarity NPD7638 Approved
0.5876 Remote Similarity NPD4225 Approved
0.5875 Remote Similarity NPD6923 Approved
0.5875 Remote Similarity NPD6922 Approved
0.587 Remote Similarity NPD5764 Clinical (unspecified phase)
0.587 Remote Similarity NPD7285 Clinical (unspecified phase)
0.587 Remote Similarity NPD6101 Approved
0.5862 Remote Similarity NPD6902 Approved
0.5859 Remote Similarity NPD7632 Discontinued
0.5854 Remote Similarity NPD4732 Discontinued
0.5851 Remote Similarity NPD6399 Phase 3
0.5833 Remote Similarity NPD6933 Approved
0.5825 Remote Similarity NPD6013 Approved
0.5825 Remote Similarity NPD6012 Approved
0.5825 Remote Similarity NPD6373 Approved
0.5825 Remote Similarity NPD6014 Approved
0.5825 Remote Similarity NPD6372 Approved
0.5824 Remote Similarity NPD4751 Clinical (unspecified phase)
0.5802 Remote Similarity NPD4789 Approved
0.5802 Remote Similarity NPD7143 Approved
0.5802 Remote Similarity NPD7144 Approved
0.5795 Remote Similarity NPD6435 Approved
0.5789 Remote Similarity NPD5282 Discontinued
0.5778 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5773 Remote Similarity NPD7902 Approved
0.5769 Remote Similarity NPD5134 Clinical (unspecified phase)
0.5769 Remote Similarity NPD5250 Approved
0.5769 Remote Similarity NPD5249 Phase 3
0.5769 Remote Similarity NPD5247 Approved
0.5769 Remote Similarity NPD4634 Approved
0.5769 Remote Similarity NPD5248 Approved
0.5769 Remote Similarity NPD7102 Approved
0.5769 Remote Similarity NPD6883 Approved
0.5769 Remote Similarity NPD3171 Clinical (unspecified phase)
0.5769 Remote Similarity NPD7290 Approved
0.5769 Remote Similarity NPD5169 Approved
0.5769 Remote Similarity NPD5251 Approved
0.5769 Remote Similarity NPD5135 Approved
0.5761 Remote Similarity NPD5737 Approved
0.5761 Remote Similarity NPD6672 Approved
0.5747 Remote Similarity NPD7525 Registered
0.5747 Remote Similarity NPD4748 Discontinued
0.5745 Remote Similarity NPD7983 Approved
0.5732 Remote Similarity NPD7152 Approved
0.5732 Remote Similarity NPD7151 Approved
0.5732 Remote Similarity NPD7150 Approved
0.573 Remote Similarity NPD4788 Approved
0.573 Remote Similarity NPD6695 Phase 3
0.5729 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7146 Approved
0.5714 Remote Similarity NPD8130 Phase 1
0.5714 Remote Similarity NPD5216 Approved
0.5714 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5714 Remote Similarity NPD6684 Approved
0.5714 Remote Similarity NPD6409 Approved
0.5714 Remote Similarity NPD6847 Approved
0.5714 Remote Similarity NPD4690 Approved
0.5714 Remote Similarity NPD5215 Approved
0.5714 Remote Similarity NPD4688 Approved
0.5714 Remote Similarity NPD4689 Approved
0.5714 Remote Similarity NPD4138 Approved
0.5714 Remote Similarity NPD6649 Approved
0.5714 Remote Similarity NPD6869 Approved
0.5714 Remote Similarity NPD4693 Phase 3
0.5714 Remote Similarity NPD5696 Approved
0.5714 Remote Similarity NPD7521 Approved

Structure

External Identifiers

PubChem CID   10419872
ChEMBL   CHEMBL455866
ZINC  

Physicochemical Properties

Molecular Weight:  184.11
ALogP:  0.3377
MLogP:  2.23
XLogP:  -0.599
# Rotatable Bonds:  6
Polar Surface Area:  57.53
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  1
# Heavy Atoms:  13

Download Data

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