Natural Product: NPC471184

Natural Product ID:  NPC471184
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C15H20O5
Standard InCHIKey:  RQXAHDATEUKKIF-VNUKXSOBSA-N
Standard InCHI:  InChI=1S/C15H20O5/c1-8-9-6-10-12(2,17)4-5-14(10)13(3,18)7-15(9,20-14)19-11(8)16/h10,17-18H,4-7H2,1-3H3/t10-,12-,13+,14+,15+/m0/s1
Canonical SMILES:  O=C1O[C@]23C(=C1C)C[C@@H]1[C@@](O3)([C@](C2)(C)O)CC[C@]1(C)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
NPO18068 Curcuma phaeocaulis Species Zingiberaceae Eukaryota Rhizomes PMID[23755850]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 1500 nM 26034885
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 8500 nM 22934671

  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 NPC471184 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
0.8621 High Similarity NPC290052
0.8404 Intermediate Similarity NPC98165
0.8202 Intermediate Similarity NPC16887
0.8202 Intermediate Similarity NPC154893
0.8202 Intermediate Similarity NPC37005
0.8202 Intermediate Similarity NPC53011
0.8111 Intermediate Similarity NPC146850
0.8111 Intermediate Similarity NPC287015
0.8085 Intermediate Similarity NPC272293
0.8085 Intermediate Similarity NPC40821
0.8085 Intermediate Similarity NPC32862
0.7895 Intermediate Similarity NPC471483
0.7742 Intermediate Similarity NPC191283
0.7573 Intermediate Similarity NPC85670
0.7551 Intermediate Similarity NPC220221
0.7551 Intermediate Similarity NPC329435
0.7551 Intermediate Similarity NPC37408
0.75 Intermediate Similarity NPC152017
0.75 Intermediate Similarity NPC106446
0.7431 Intermediate Similarity NPC138372
0.7431 Intermediate Similarity NPC106228
0.7426 Intermediate Similarity NPC130792
0.7404 Intermediate Similarity NPC239961
0.7383 Intermediate Similarity NPC474750
0.7358 Intermediate Similarity NPC257853
0.7358 Intermediate Similarity NPC187876
0.7347 Intermediate Similarity NPC470187
0.734 Intermediate Similarity NPC471185
0.7339 Intermediate Similarity NPC69576
0.7339 Intermediate Similarity NPC471633
0.7339 Intermediate Similarity NPC31354
0.7339 Intermediate Similarity NPC84949
0.7308 Intermediate Similarity NPC161775
0.73 Intermediate Similarity NPC213078
0.7273 Intermediate Similarity NPC310341
0.7273 Intermediate Similarity NPC5311
0.7273 Intermediate Similarity NPC281775
0.7273 Intermediate Similarity NPC277583
0.7273 Intermediate Similarity NPC193382
0.7273 Intermediate Similarity NPC127019
0.7273 Intermediate Similarity NPC274588
0.7273 Intermediate Similarity NPC99620
0.7273 Intermediate Similarity NPC199428
0.7264 Intermediate Similarity NPC10150
0.7255 Intermediate Similarity NPC79631
0.7248 Intermediate Similarity NPC287075
0.7245 Intermediate Similarity NPC235051
0.7234 Intermediate Similarity NPC116613
0.7232 Intermediate Similarity NPC9674
0.7232 Intermediate Similarity NPC81222
0.7232 Intermediate Similarity NPC291820
0.7232 Intermediate Similarity NPC44899
0.7232 Intermediate Similarity NPC304260
0.7232 Intermediate Similarity NPC19028
0.7232 Intermediate Similarity NPC29639
0.7232 Intermediate Similarity NPC5883
0.7228 Intermediate Similarity NPC161493
0.7216 Intermediate Similarity NPC299527
0.7216 Intermediate Similarity NPC205548
0.7212 Intermediate Similarity NPC124881
0.7207 Intermediate Similarity NPC471355
0.7207 Intermediate Similarity NPC34390
0.7207 Intermediate Similarity NPC157376
0.7207 Intermediate Similarity NPC196429
0.7207 Intermediate Similarity NPC309034
0.7207 Intermediate Similarity NPC99728
0.7207 Intermediate Similarity NPC152615
0.7207 Intermediate Similarity NPC290693
0.7207 Intermediate Similarity NPC203862
0.7207 Intermediate Similarity NPC27507
0.7207 Intermediate Similarity NPC244402
0.7207 Intermediate Similarity NPC50305
0.7207 Intermediate Similarity NPC471354
0.7207 Intermediate Similarity NPC142066
0.7207 Intermediate Similarity NPC473852
0.7207 Intermediate Similarity NPC84987
0.7207 Intermediate Similarity NPC471353
0.7207 Intermediate Similarity NPC77319
0.7207 Intermediate Similarity NPC87250
0.7207 Intermediate Similarity NPC243196
0.7207 Intermediate Similarity NPC471351
0.7207 Intermediate Similarity NPC93883
0.7207 Intermediate Similarity NPC474418
0.7207 Intermediate Similarity NPC158344
0.72 Intermediate Similarity NPC93869
0.72 Intermediate Similarity NPC170120
0.72 Intermediate Similarity NPC240838
0.72 Intermediate Similarity NPC6765
0.72 Intermediate Similarity NPC67584
0.72 Intermediate Similarity NPC469873
0.72 Intermediate Similarity NPC213698
0.72 Intermediate Similarity NPC471492
0.72 Intermediate Similarity NPC52044
0.7184 Intermediate Similarity NPC150923
0.7184 Intermediate Similarity NPC198992
0.7184 Intermediate Similarity NPC219038
0.7172 Intermediate Similarity NPC156553
0.717 Intermediate Similarity NPC472820
0.7168 Intermediate Similarity NPC107607
0.7158 Intermediate Similarity NPC253604
0.7158 Intermediate Similarity NPC245434
0.7157 Intermediate Similarity NPC79449
0.7157 Intermediate Similarity NPC474957
0.7157 Intermediate Similarity NPC221615
0.7143 Intermediate Similarity NPC83287
0.7143 Intermediate Similarity NPC202886
0.7143 Intermediate Similarity NPC474917
0.7143 Intermediate Similarity NPC218093
0.7143 Intermediate Similarity NPC472819
0.7129 Intermediate Similarity NPC319861
0.7129 Intermediate Similarity NPC284063
0.7129 Intermediate Similarity NPC473333
0.7129 Intermediate Similarity NPC170527
0.7115 Intermediate Similarity NPC121423
0.7115 Intermediate Similarity NPC470972
0.7115 Intermediate Similarity NPC200672
0.7115 Intermediate Similarity NPC471599
0.7115 Intermediate Similarity NPC86077
0.7115 Intermediate Similarity NPC214714
0.7113 Intermediate Similarity NPC242448
0.7105 Intermediate Similarity NPC475219
0.7105 Intermediate Similarity NPC231518
0.7105 Intermediate Similarity NPC40749
0.7103 Intermediate Similarity NPC475960
0.71 Intermediate Similarity NPC256368
0.7097 Intermediate Similarity NPC59994
0.7097 Intermediate Similarity NPC78677
0.7097 Intermediate Similarity NPC15978
0.7087 Intermediate Similarity NPC476320
0.7087 Intermediate Similarity NPC476211
0.7087 Intermediate Similarity NPC70865
0.7083 Intermediate Similarity NPC311163
0.708 Intermediate Similarity NPC236973
0.708 Intermediate Similarity NPC55532
0.708 Intermediate Similarity NPC469756
0.708 Intermediate Similarity NPC30483
0.708 Intermediate Similarity NPC329905
0.708 Intermediate Similarity NPC292467
0.708 Intermediate Similarity NPC470897
0.708 Intermediate Similarity NPC32177
0.7075 Intermediate Similarity NPC472818
0.7075 Intermediate Similarity NPC54737
0.7075 Intermediate Similarity NPC470980
0.7071 Intermediate Similarity NPC477749
0.7059 Intermediate Similarity NPC236580
0.7059 Intermediate Similarity NPC347923
0.7059 Intermediate Similarity NPC471490
0.7059 Intermediate Similarity NPC476057
0.7059 Intermediate Similarity NPC2666
0.7059 Intermediate Similarity NPC182811
0.7059 Intermediate Similarity NPC472290
0.7059 Intermediate Similarity NPC304445
0.7059 Intermediate Similarity NPC86843
0.7059 Intermediate Similarity NPC474182
0.7048 Intermediate Similarity NPC472821
0.7048 Intermediate Similarity NPC37240
0.7043 Intermediate Similarity NPC115349
0.7043 Intermediate Similarity NPC193893
0.7041 Intermediate Similarity NPC477748
0.7037 Intermediate Similarity NPC475030
0.703 Intermediate Similarity NPC472873
0.7019 Intermediate Similarity NPC27474
0.7019 Intermediate Similarity NPC216911
0.7019 Intermediate Similarity NPC26557
0.7019 Intermediate Similarity NPC476230
0.7018 Intermediate Similarity NPC475629
0.7018 Intermediate Similarity NPC475556
0.7018 Intermediate Similarity NPC474466
0.7018 Intermediate Similarity NPC72260
0.7018 Intermediate Similarity NPC475136
0.7009 Intermediate Similarity NPC197813
0.7009 Intermediate Similarity NPC148270
0.7009 Intermediate Similarity NPC80338
0.7 Intermediate Similarity NPC472195
0.7 Intermediate Similarity NPC472196
0.7 Intermediate Similarity NPC238090
0.7 Intermediate Similarity NPC265921
0.7 Intermediate Similarity NPC110022
0.7 Intermediate Similarity NPC85831
0.7 Intermediate Similarity NPC215215
0.699 Remote Similarity NPC49833
0.699 Remote Similarity NPC45125
0.699 Remote Similarity NPC65700
0.699 Remote Similarity NPC469918
0.699 Remote Similarity NPC96399
0.699 Remote Similarity NPC117066
0.699 Remote Similarity NPC274458
0.699 Remote Similarity NPC249171
0.699 Remote Similarity NPC187268
0.699 Remote Similarity NPC151093
0.699 Remote Similarity NPC469919
0.699 Remote Similarity NPC472015
0.6989 Remote Similarity NPC186072
0.6983 Remote Similarity NPC471392
0.6983 Remote Similarity NPC27363
0.6979 Remote Similarity NPC471494
0.6979 Remote Similarity NPC470658
0.697 Remote Similarity NPC118078
0.697 Remote Similarity NPC216284
0.697 Remote Similarity NPC301969

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471184 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
0.7143 Intermediate Similarity NPD7327 Approved
0.7143 Intermediate Similarity NPD7328 Approved
0.7105 Intermediate Similarity NPD8033 Approved
0.708 Intermediate Similarity NPD7516 Approved
0.7018 Intermediate Similarity NPD8294 Approved
0.7018 Intermediate Similarity NPD8377 Approved
0.6957 Remote Similarity NPD8296 Approved
0.6957 Remote Similarity NPD8335 Approved
0.6957 Remote Similarity NPD8378 Approved
0.6957 Remote Similarity NPD8380 Approved
0.6957 Remote Similarity NPD8379 Approved
0.6864 Remote Similarity NPD7507 Approved
0.6852 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6789 Remote Similarity NPD6686 Approved
0.6694 Remote Similarity NPD7319 Approved
0.6667 Remote Similarity NPD7503 Approved
0.6634 Remote Similarity NPD6698 Approved
0.6634 Remote Similarity NPD46 Approved
0.6566 Remote Similarity NPD4249 Approved
0.6549 Remote Similarity NPD6053 Discontinued
0.6509 Remote Similarity NPD8029 Clinical (unspecified phase)
0.65 Remote Similarity NPD4250 Approved
0.65 Remote Similarity NPD4251 Approved
0.6471 Remote Similarity NPD7838 Discovery
0.6465 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6396 Remote Similarity NPD6412 Phase 2
0.6373 Remote Similarity NPD1695 Approved
0.6372 Remote Similarity NPD6371 Approved
0.6316 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6283 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6239 Remote Similarity NPD5344 Discontinued
0.6204 Remote Similarity NPD7638 Approved
0.6147 Remote Similarity NPD7639 Approved
0.6147 Remote Similarity NPD7640 Approved
0.6129 Remote Similarity NPD7078 Approved
0.6122 Remote Similarity NPD4820 Approved
0.6122 Remote Similarity NPD4819 Approved
0.6122 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6122 Remote Similarity NPD4821 Approved
0.6122 Remote Similarity NPD4822 Approved
0.6098 Remote Similarity NPD7492 Approved
0.6087 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6068 Remote Similarity NPD8133 Approved
0.6055 Remote Similarity NPD4225 Approved
0.6048 Remote Similarity NPD6616 Approved
0.6036 Remote Similarity NPD7632 Discontinued
0.6033 Remote Similarity NPD6059 Approved
0.6033 Remote Similarity NPD6054 Approved
0.6 Remote Similarity NPD8293 Discontinued
0.6 Remote Similarity NPD6648 Approved
0.5984 Remote Similarity NPD6015 Approved
0.5984 Remote Similarity NPD6016 Approved
0.5952 Remote Similarity NPD7736 Approved
0.5943 Remote Similarity NPD5693 Phase 1
0.5941 Remote Similarity NPD5362 Discontinued
0.5935 Remote Similarity NPD6370 Approved
0.5935 Remote Similarity NPD5988 Approved
0.5926 Remote Similarity NPD5695 Phase 3
0.5918 Remote Similarity NPD4271 Approved
0.5918 Remote Similarity NPD4268 Approved
0.5917 Remote Similarity NPD6009 Approved
0.59 Remote Similarity NPD4790 Discontinued
0.5854 Remote Similarity NPD8516 Approved
0.5854 Remote Similarity NPD8517 Approved
0.5854 Remote Similarity NPD8515 Approved
0.5854 Remote Similarity NPD8513 Phase 3
0.5842 Remote Similarity NPD6435 Approved
0.5833 Remote Similarity NPD5282 Discontinued
0.5826 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5825 Remote Similarity NPD1733 Clinical (unspecified phase)
0.5818 Remote Similarity NPD6084 Phase 2
0.5818 Remote Similarity NPD6083 Phase 2
0.5798 Remote Similarity NPD4632 Approved
0.5797 Remote Similarity NPD7625 Phase 1
0.5794 Remote Similarity NPD5281 Approved
0.5794 Remote Similarity NPD5284 Approved
0.5789 Remote Similarity NPD4057 Clinical (unspecified phase)
0.5789 Remote Similarity NPD4056 Clinical (unspecified phase)
0.5784 Remote Similarity NPD5331 Approved
0.5784 Remote Similarity NPD5332 Approved
0.578 Remote Similarity NPD1698 Clinical (unspecified phase)
0.5772 Remote Similarity NPD6319 Approved
0.5766 Remote Similarity NPD5696 Approved
0.5755 Remote Similarity NPD6051 Approved
0.5739 Remote Similarity NPD6008 Approved
0.5728 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5714 Remote Similarity NPD7524 Approved
0.5714 Remote Similarity NPD6882 Approved
0.5701 Remote Similarity NPD5785 Approved
0.5701 Remote Similarity NPD5207 Approved
0.5686 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5656 Remote Similarity NPD7115 Discovery
0.5648 Remote Similarity NPD7637 Suspended
0.5648 Remote Similarity NPD7983 Approved
0.5644 Remote Similarity NPD5368 Approved
0.5641 Remote Similarity NPD7320 Approved
0.5636 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5631 Remote Similarity NPD7154 Phase 3
0.5625 Remote Similarity NPD8074 Phase 3
0.5615 Remote Similarity NPD5956 Approved
0.5607 Remote Similarity NPD6904 Approved
0.5607 Remote Similarity NPD6673 Approved
0.5607 Remote Similarity NPD6080 Approved
0.5603 Remote Similarity NPD5739 Approved
0.5603 Remote Similarity NPD6675 Approved
0.5603 Remote Similarity NPD6402 Approved
0.5603 Remote Similarity NPD7128 Approved

Structure

External Identifiers

PubChem CID   73351986
ChEMBL   CHEMBL2386500
ZINC  

Physicochemical Properties

Molecular Weight:  280.13
ALogP:  0.379
MLogP:  2.56
XLogP:  0.104
# Rotatable Bonds:  5
Polar Surface Area:  75.99
# H-Bond Aceptor:  5
# H-Bond Donor:  2
# Rings:  4
# Heavy Atoms:  20

Download Data

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