Natural Product: NPC471956

Natural Product ID:  NPC471956
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C17H18O4
Standard InCHIKey:  UMDGLGBILDVFOU-KEAXFYSCSA-N
Standard InCHI:  InChI=1S/C17H18O4/c1-8-10-4-14(10)17(3)6-15-11(5-13(8)17)12(16(19)21-15)7-20-9(2)18/h6,10,13-14H,1,4-5,7H2,2-3H3/t10-,13+,14-,17-/m1/s1
Canonical SMILES:  CC(=O)OCC1=C2C[C@H]3C(=C)[C@@H]4[C@H]([C@@]3(C=C2OC1=O)C)C4
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
NPO3657.1 Hyalis argentea Under-species NA NA PMID[25026191]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans GI = 50 % 17206139
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans GI = 100 % 16417306
NPT20 Organism Candida albicans Candida albicans GI = 50 % 26081764
NPT20 Organism Candida albicans Candida albicans GI = 80 % 26174655
NPT20 Organism Candida albicans Candida albicans GI = 100 % 26174655
NPT85 Organism Filobasidiella neoformans Cryptococcus neoformans GI = 80 % 19654408

  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 NPC471956 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
0.9195 High Similarity NPC2882
0.8667 High Similarity NPC472954
0.8214 Intermediate Similarity NPC54996
0.8 Intermediate Similarity NPC473825
0.7912 Intermediate Similarity NPC125925
0.7865 Intermediate Similarity NPC12283
0.7865 Intermediate Similarity NPC474193
0.7835 Intermediate Similarity NPC181147
0.7826 Intermediate Similarity NPC472302
0.7766 Intermediate Similarity NPC472953
0.7727 Intermediate Similarity NPC268827
0.7717 Intermediate Similarity NPC45957
0.7717 Intermediate Similarity NPC471657
0.7667 Intermediate Similarity NPC30502
0.7624 Intermediate Similarity NPC472822
0.7604 Intermediate Similarity NPC166143
0.7604 Intermediate Similarity NPC471994
0.7604 Intermediate Similarity NPC120351
0.759 Intermediate Similarity NPC232812
0.7582 Intermediate Similarity NPC475100
0.7579 Intermediate Similarity NPC472705
0.7553 Intermediate Similarity NPC177141
0.7553 Intermediate Similarity NPC64913
0.7553 Intermediate Similarity NPC242877
0.7551 Intermediate Similarity NPC53844
0.7529 Intermediate Similarity NPC222244
0.7529 Intermediate Similarity NPC16349
0.7527 Intermediate Similarity NPC476600
0.75 Intermediate Similarity NPC471185
0.75 Intermediate Similarity NPC474005
0.75 Intermediate Similarity NPC471220
0.75 Intermediate Similarity NPC189311
0.75 Intermediate Similarity NPC64234
0.75 Intermediate Similarity NPC37929
0.75 Intermediate Similarity NPC184737
0.7473 Intermediate Similarity NPC193198
0.7473 Intermediate Similarity NPC321385
0.7451 Intermediate Similarity NPC121099
0.7451 Intermediate Similarity NPC200861
0.7449 Intermediate Similarity NPC260796
0.7449 Intermediate Similarity NPC16967
0.7447 Intermediate Similarity NPC260343
0.7447 Intermediate Similarity NPC226863
0.7423 Intermediate Similarity NPC191521
0.7412 Intermediate Similarity NPC181587
0.7404 Intermediate Similarity NPC220155
0.74 Intermediate Similarity NPC227865
0.7396 Intermediate Similarity NPC32494
0.7396 Intermediate Similarity NPC175842
0.7391 Intermediate Similarity NPC474693
0.7386 Intermediate Similarity NPC189206
0.7379 Intermediate Similarity NPC81630
0.7374 Intermediate Similarity NPC202705
0.7374 Intermediate Similarity NPC47834
0.7374 Intermediate Similarity NPC2049
0.7363 Intermediate Similarity NPC471218
0.7363 Intermediate Similarity NPC200513
0.7347 Intermediate Similarity NPC295347
0.7347 Intermediate Similarity NPC474909
0.7347 Intermediate Similarity NPC209355
0.7347 Intermediate Similarity NPC33473
0.7333 Intermediate Similarity NPC472470
0.7327 Intermediate Similarity NPC475099
0.732 Intermediate Similarity NPC152778
0.732 Intermediate Similarity NPC59646
0.732 Intermediate Similarity NPC162615
0.732 Intermediate Similarity NPC205034
0.732 Intermediate Similarity NPC115021
0.7315 Intermediate Similarity NPC106446
0.7312 Intermediate Similarity NPC475860
0.7312 Intermediate Similarity NPC473659
0.7312 Intermediate Similarity NPC474694
0.7312 Intermediate Similarity NPC472442
0.7303 Intermediate Similarity NPC253749
0.7292 Intermediate Similarity NPC220454
0.7292 Intermediate Similarity NPC3436
0.7292 Intermediate Similarity NPC273199
0.7292 Intermediate Similarity NPC280149
0.7292 Intermediate Similarity NPC51486
0.7292 Intermediate Similarity NPC221111
0.7292 Intermediate Similarity NPC469595
0.7292 Intermediate Similarity NPC212679
0.7283 Intermediate Similarity NPC311070
0.7283 Intermediate Similarity NPC477124
0.7283 Intermediate Similarity NPC472377
0.7283 Intermediate Similarity NPC474809
0.7283 Intermediate Similarity NPC472440
0.7273 Intermediate Similarity NPC9812
0.7273 Intermediate Similarity NPC476317
0.7263 Intermediate Similarity NPC472378
0.7263 Intermediate Similarity NPC93411
0.7253 Intermediate Similarity NPC59994
0.7253 Intermediate Similarity NPC475944
0.7253 Intermediate Similarity NPC78677
0.7253 Intermediate Similarity NPC282293
0.7245 Intermediate Similarity NPC470521
0.7245 Intermediate Similarity NPC124207
0.7245 Intermediate Similarity NPC53685
0.7234 Intermediate Similarity NPC474045
0.7234 Intermediate Similarity NPC131813
0.7234 Intermediate Similarity NPC261253
0.7228 Intermediate Similarity NPC469872
0.7228 Intermediate Similarity NPC469864
0.7228 Intermediate Similarity NPC54705
0.7222 Intermediate Similarity NPC471299
0.7222 Intermediate Similarity NPC150646
0.7222 Intermediate Similarity NPC170561
0.7216 Intermediate Similarity NPC177037
0.7216 Intermediate Similarity NPC478244
0.7216 Intermediate Similarity NPC478243
0.7216 Intermediate Similarity NPC470520
0.7216 Intermediate Similarity NPC166110
0.7216 Intermediate Similarity NPC472814
0.7212 Intermediate Similarity NPC127790
0.7209 Intermediate Similarity NPC257618
0.7209 Intermediate Similarity NPC5734
0.7204 Intermediate Similarity NPC318515
0.7204 Intermediate Similarity NPC96055
0.7204 Intermediate Similarity NPC149869
0.72 Intermediate Similarity NPC110937
0.72 Intermediate Similarity NPC477949
0.72 Intermediate Similarity NPC208094
0.7191 Intermediate Similarity NPC315394
0.7188 Intermediate Similarity NPC470734
0.7188 Intermediate Similarity NPC225283
0.7188 Intermediate Similarity NPC284561
0.7188 Intermediate Similarity NPC288699
0.7188 Intermediate Similarity NPC5509
0.7184 Intermediate Similarity NPC475526
0.7184 Intermediate Similarity NPC473283
0.7184 Intermediate Similarity NPC329345
0.7174 Intermediate Similarity NPC35556
0.7172 Intermediate Similarity NPC281134
0.7172 Intermediate Similarity NPC293052
0.7158 Intermediate Similarity NPC478144
0.7158 Intermediate Similarity NPC191283
0.7158 Intermediate Similarity NPC312561
0.7158 Intermediate Similarity NPC478145
0.7157 Intermediate Similarity NPC298233
0.7157 Intermediate Similarity NPC168319
0.7157 Intermediate Similarity NPC477950
0.7157 Intermediate Similarity NPC194028
0.7157 Intermediate Similarity NPC116139
0.7143 Intermediate Similarity NPC476598
0.7143 Intermediate Similarity NPC475657
0.7143 Intermediate Similarity NPC248193
0.7143 Intermediate Similarity NPC476958
0.7143 Intermediate Similarity NPC472266
0.7143 Intermediate Similarity NPC1108
0.7143 Intermediate Similarity NPC476597
0.7129 Intermediate Similarity NPC98868
0.7129 Intermediate Similarity NPC244411
0.7129 Intermediate Similarity NPC278673
0.7129 Intermediate Similarity NPC64742
0.7129 Intermediate Similarity NPC92275
0.7129 Intermediate Similarity NPC252295
0.7128 Intermediate Similarity NPC474013
0.7128 Intermediate Similarity NPC65661
0.7128 Intermediate Similarity NPC30984
0.7115 Intermediate Similarity NPC165969
0.7115 Intermediate Similarity NPC309190
0.7115 Intermediate Similarity NPC161775
0.7113 Intermediate Similarity NPC8062
0.7113 Intermediate Similarity NPC310479
0.7113 Intermediate Similarity NPC161638
0.7113 Intermediate Similarity NPC469372
0.7113 Intermediate Similarity NPC182136
0.7113 Intermediate Similarity NPC281942
0.7113 Intermediate Similarity NPC302280
0.7113 Intermediate Similarity NPC232426
0.7111 Intermediate Similarity NPC209135
0.7111 Intermediate Similarity NPC474816
0.71 Intermediate Similarity NPC114743
0.71 Intermediate Similarity NPC195366
0.71 Intermediate Similarity NPC190713
0.71 Intermediate Similarity NPC242848
0.71 Intermediate Similarity NPC307164
0.7097 Intermediate Similarity NPC475989
0.7097 Intermediate Similarity NPC475947
0.7093 Intermediate Similarity NPC469660
0.7093 Intermediate Similarity NPC316029
0.7087 Intermediate Similarity NPC471993
0.7087 Intermediate Similarity NPC66110
0.7083 Intermediate Similarity NPC473879
0.7083 Intermediate Similarity NPC472809
0.7083 Intermediate Similarity NPC472810
0.7079 Intermediate Similarity NPC27205
0.7079 Intermediate Similarity NPC4509
0.7071 Intermediate Similarity NPC473280
0.7071 Intermediate Similarity NPC477130
0.7071 Intermediate Similarity NPC38830
0.7071 Intermediate Similarity NPC471078
0.7071 Intermediate Similarity NPC281775
0.7071 Intermediate Similarity NPC477129
0.7071 Intermediate Similarity NPC476596
0.7071 Intermediate Similarity NPC473431
0.7071 Intermediate Similarity NPC84893
0.7071 Intermediate Similarity NPC470697
0.7071 Intermediate Similarity NPC477241
0.7071 Intermediate Similarity NPC161998

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC471956 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
0.7556 Intermediate Similarity NPD5209 Approved
0.7363 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7041 Intermediate Similarity NPD7637 Suspended
0.701 Intermediate Similarity NPD6051 Approved
0.6966 Remote Similarity NPD8039 Approved
0.6907 Remote Similarity NPD5737 Approved
0.6907 Remote Similarity NPD6672 Approved
0.6869 Remote Similarity NPD5693 Phase 1
0.6832 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6796 Remote Similarity NPD4225 Approved
0.6786 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6768 Remote Similarity NPD5692 Phase 3
0.6768 Remote Similarity NPD5207 Approved
0.6735 Remote Similarity NPD6903 Approved
0.6706 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6701 Remote Similarity NPD6684 Approved
0.6701 Remote Similarity NPD7521 Approved
0.6701 Remote Similarity NPD7334 Approved
0.6701 Remote Similarity NPD6409 Approved
0.6701 Remote Similarity NPD7146 Approved
0.6701 Remote Similarity NPD5330 Approved
0.67 Remote Similarity NPD6050 Approved
0.67 Remote Similarity NPD5694 Approved
0.6667 Remote Similarity NPD5695 Phase 3
0.6667 Remote Similarity NPD6400 Clinical (unspecified phase)
0.6635 Remote Similarity NPD7638 Approved
0.66 Remote Similarity NPD5785 Approved
0.6598 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6598 Remote Similarity NPD1694 Approved
0.6579 Remote Similarity NPD7115 Discovery
0.6571 Remote Similarity NPD7639 Approved
0.6571 Remote Similarity NPD7640 Approved
0.6569 Remote Similarity NPD6001 Approved
0.6566 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6538 Remote Similarity NPD6083 Phase 2
0.6538 Remote Similarity NPD6084 Phase 2
0.6538 Remote Similarity NPD5959 Approved
0.6535 Remote Similarity NPD6411 Approved
0.6518 Remote Similarity NPD6053 Discontinued
0.6505 Remote Similarity NPD1698 Clinical (unspecified phase)
0.65 Remote Similarity NPD6673 Approved
0.65 Remote Similarity NPD6904 Approved
0.65 Remote Similarity NPD6080 Approved
0.6476 Remote Similarity NPD5696 Approved
0.6471 Remote Similarity NPD5778 Approved
0.6471 Remote Similarity NPD5779 Approved
0.6436 Remote Similarity NPD7838 Discovery
0.64 Remote Similarity NPD5208 Approved
0.6392 Remote Similarity NPD6695 Phase 3
0.6373 Remote Similarity NPD5284 Approved
0.6373 Remote Similarity NPD5281 Approved
0.6364 Remote Similarity NPD5279 Phase 3
0.6356 Remote Similarity NPD7503 Approved
0.6346 Remote Similarity NPD5654 Approved
0.6339 Remote Similarity NPD6371 Approved
0.6337 Remote Similarity NPD6101 Approved
0.6337 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6337 Remote Similarity NPD1695 Approved
0.6327 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6311 Remote Similarity NPD6399 Phase 3
0.6273 Remote Similarity NPD6008 Approved
0.6262 Remote Similarity NPD6648 Approved
0.625 Remote Similarity NPD5282 Discontinued
0.6224 Remote Similarity NPD5362 Discontinued
0.6224 Remote Similarity NPD7154 Phase 3
0.6211 Remote Similarity NPD5784 Clinical (unspecified phase)
0.62 Remote Similarity NPD4249 Approved
0.62 Remote Similarity NPD6098 Approved
0.6186 Remote Similarity NPD6902 Approved
0.6176 Remote Similarity NPD4753 Phase 2
0.6163 Remote Similarity NPD4194 Approved
0.6163 Remote Similarity NPD4192 Approved
0.6163 Remote Similarity NPD4191 Approved
0.6163 Remote Similarity NPD4193 Approved
0.6161 Remote Similarity NPD7320 Approved
0.6161 Remote Similarity NPD6686 Approved
0.6146 Remote Similarity NPD6929 Approved
0.6139 Remote Similarity NPD7750 Discontinued
0.6139 Remote Similarity NPD7524 Approved
0.6139 Remote Similarity NPD4250 Approved
0.6139 Remote Similarity NPD4251 Approved
0.6129 Remote Similarity NPD6924 Approved
0.6129 Remote Similarity NPD6926 Approved
0.6126 Remote Similarity NPD5739 Approved
0.6126 Remote Similarity NPD7128 Approved
0.6126 Remote Similarity NPD6402 Approved
0.6126 Remote Similarity NPD6675 Approved
0.6117 Remote Similarity NPD6698 Approved
0.6117 Remote Similarity NPD46 Approved
0.6102 Remote Similarity NPD7327 Approved
0.6102 Remote Similarity NPD7328 Approved
0.61 Remote Similarity NPD5363 Approved
0.6087 Remote Similarity NPD5276 Approved
0.6082 Remote Similarity NPD6931 Approved
0.6082 Remote Similarity NPD6930 Phase 2
0.6082 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5954 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5697 Approved
0.6071 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6071 Remote Similarity NPD5701 Approved
0.6061 Remote Similarity NPD5331 Approved
0.6061 Remote Similarity NPD5332 Approved
0.605 Remote Similarity NPD7516 Approved
0.604 Remote Similarity NPD5280 Approved
0.604 Remote Similarity NPD4694 Approved
0.602 Remote Similarity NPD4790 Discontinued
0.6018 Remote Similarity NPD6899 Approved
0.6018 Remote Similarity NPD6881 Approved
0.6 Remote Similarity NPD8294 Approved
0.6 Remote Similarity NPD3665 Phase 1
0.6 Remote Similarity NPD3666 Approved
0.6 Remote Similarity NPD7319 Approved
0.6 Remote Similarity NPD3133 Approved
0.6 Remote Similarity NPD6933 Approved
0.6 Remote Similarity NPD7632 Discontinued
0.6 Remote Similarity NPD8377 Approved
0.5979 Remote Similarity NPD4195 Approved
0.5965 Remote Similarity NPD6373 Approved
0.5965 Remote Similarity NPD6013 Approved
0.5965 Remote Similarity NPD4061 Clinical (unspecified phase)
0.5965 Remote Similarity NPD6372 Approved
0.5965 Remote Similarity NPD6014 Approved
0.5965 Remote Similarity NPD6012 Approved
0.5963 Remote Similarity NPD6404 Discontinued
0.596 Remote Similarity NPD4221 Approved
0.596 Remote Similarity NPD4223 Phase 3
0.596 Remote Similarity NPD4270 Approved
0.596 Remote Similarity NPD4269 Approved
0.5957 Remote Similarity NPD5733 Approved
0.5957 Remote Similarity NPD4687 Approved
0.595 Remote Similarity NPD8033 Approved
0.595 Remote Similarity NPD8335 Approved
0.595 Remote Similarity NPD8378 Approved
0.595 Remote Similarity NPD8379 Approved
0.595 Remote Similarity NPD8296 Approved
0.595 Remote Similarity NPD8380 Approved
0.5946 Remote Similarity NPD6052 Approved
0.5943 Remote Similarity NPD7900 Approved
0.5943 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5943 Remote Similarity NPD7748 Approved
0.5941 Remote Similarity NPD1696 Phase 3
0.5938 Remote Similarity NPD5776 Phase 2
0.5938 Remote Similarity NPD4756 Discovery
0.5938 Remote Similarity NPD6925 Approved
0.5922 Remote Similarity NPD4518 Approved
0.5918 Remote Similarity NPD4821 Approved
0.5918 Remote Similarity NPD4820 Approved
0.5918 Remote Similarity NPD4819 Approved
0.5918 Remote Similarity NPD4822 Approved
0.5918 Remote Similarity NPD7514 Phase 3
0.5913 Remote Similarity NPD6883 Approved
0.5913 Remote Similarity NPD5955 Clinical (unspecified phase)
0.5913 Remote Similarity NPD7102 Approved
0.5913 Remote Similarity NPD7290 Approved
0.5909 Remote Similarity NPD5344 Discontinued
0.5905 Remote Similarity NPD7087 Discontinued
0.5888 Remote Similarity NPD4629 Approved
0.5888 Remote Similarity NPD5210 Approved
0.5887 Remote Similarity NPD7507 Approved
0.5882 Remote Similarity NPD5786 Approved
0.5882 Remote Similarity NPD3618 Phase 1
0.5882 Remote Similarity NPD3574 Clinical (unspecified phase)
0.5877 Remote Similarity NPD6011 Approved
0.5876 Remote Similarity NPD4268 Approved
0.5876 Remote Similarity NPD4271 Approved
0.5876 Remote Similarity NPD7145 Approved
0.587 Remote Similarity NPD6922 Approved
0.587 Remote Similarity NPD6923 Approved
0.5865 Remote Similarity NPD5328 Approved
0.5865 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5862 Remote Similarity NPD6650 Approved
0.5862 Remote Similarity NPD8130 Phase 1
0.5862 Remote Similarity NPD6617 Approved
0.5862 Remote Similarity NPD6847 Approved
0.5862 Remote Similarity NPD6649 Approved
0.5862 Remote Similarity NPD6869 Approved
0.5859 Remote Similarity NPD5369 Approved
0.5849 Remote Similarity NPD5133 Approved
0.5842 Remote Similarity NPD4786 Approved
0.5842 Remote Similarity NPD4197 Approved
0.5842 Remote Similarity NPD3668 Phase 3
0.5825 Remote Similarity NPD3573 Approved
0.5812 Remote Similarity NPD6882 Approved
0.5812 Remote Similarity NPD8297 Approved
0.581 Remote Similarity NPD4096 Approved
0.5806 Remote Similarity NPD7144 Approved
0.5806 Remote Similarity NPD4747 Approved
0.5806 Remote Similarity NPD7143 Approved
0.58 Remote Similarity NPD3667 Approved
0.58 Remote Similarity NPD6435 Approved
0.5789 Remote Similarity NPD4058 Approved
0.5784 Remote Similarity NPD6893 Approved
0.5784 Remote Similarity NPD5329 Approved
0.5784 Remote Similarity NPD1733 Clinical (unspecified phase)
0.578 Remote Similarity NPD4755 Approved
0.578 Remote Similarity NPD7902 Approved
0.5773 Remote Similarity NPD6932 Approved
0.5758 Remote Similarity NPD7332 Phase 2
0.5758 Remote Similarity NPD4695 Discontinued
0.5758 Remote Similarity NPD4252 Approved

Structure

External Identifiers

PubChem CID  
ChEMBL   CHEMBL3314202
ZINC  

Physicochemical Properties

Molecular Weight:  286.12
ALogP:  0.9051
MLogP:  2.89
XLogP:  2.414
# Rotatable Bonds:  5
Polar Surface Area:  52.6
# H-Bond Aceptor:  4
# H-Bond Donor:  0
# Rings:  4
# Heavy Atoms:  21

Download Data

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