Natural Product: NPC186109

Natural Product ID:  NPC186109
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C22H34O3
Standard InCHIKey:  UVAWBGLQQAGQHW-SKMPXITJSA-N
Standard InCHI:  InChI=1S/C22H34O3/c1-14(2)17-12-19(24-16(4)23)21(5)13-20-22(6,25-20)11-7-8-15(3)9-10-18(17)21/h8,17-20H,1,7,9-13H2,2-6H3/b15-8+/t17-,18+,19+,20+,21-,22+/m1/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@H]([C@H]2[C@@]1(C)C[C@@H]1O[C@@]1(C)CC/C=C(/CC2)C)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
NPO31140 Dilophus spiralis Species Dictyotaceae Eukaryota at a depth of 0.1-1 m, Elafonissos Island (36°30' N, 22°58' E), south of Peloponnese, Greece 2004-APR PMID[21190330]
NPO31140 Dilophus spiralis Species Dictyotaceae Eukaryota Elafonissos Island (GPS coordinates 36°30' N, 22°58' E), south of Peloponnese, Greece 2004-APR PMID[21190330]
NPO31140 Dilophus spiralis Species Dictyotaceae Eukaryota PMID[21190330]
NPO29146 Polygonatum kingianum Species Asparagaceae Eukaryota UNPD*
NPO29308 Mycobacterium marinum Species Mycobacteriaceae Bacteria UNPD*
NPO29285 Dendrobium densiflorum Species Orchidaceae Eukaryota UNPD*
NPO29313 Halomonas meridiana Species Halomonadaceae Bacteria UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 32 ug/ml 21190330
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 ug/ml 21190330
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 64 ug/ml 21190330

  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 NPC186109 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
0.9014 High Similarity NPC22301
0.8875 High Similarity NPC137253
0.8421 Intermediate Similarity NPC113639
0.831 Intermediate Similarity NPC140233
0.831 Intermediate Similarity NPC287744
0.8025 Intermediate Similarity NPC472471
0.8 Intermediate Similarity NPC269841
0.8 Intermediate Similarity NPC470613
0.8 Intermediate Similarity NPC470612
0.7976 Intermediate Similarity NPC261253
0.7976 Intermediate Similarity NPC474045
0.7949 Intermediate Similarity NPC93213
0.7922 Intermediate Similarity NPC92909
0.7922 Intermediate Similarity NPC107783
0.7901 Intermediate Similarity NPC472470
0.7831 Intermediate Similarity NPC477667
0.7792 Intermediate Similarity NPC477084
0.7765 Intermediate Similarity NPC469676
0.7765 Intermediate Similarity NPC477668
0.7753 Intermediate Similarity NPC281775
0.775 Intermediate Similarity NPC476439
0.7727 Intermediate Similarity NPC472468
0.7727 Intermediate Similarity NPC221282
0.7683 Intermediate Similarity NPC474739
0.7654 Intermediate Similarity NPC474005
0.764 Intermediate Similarity NPC473678
0.7625 Intermediate Similarity NPC476317
0.7625 Intermediate Similarity NPC226242
0.7619 Intermediate Similarity NPC472473
0.7619 Intermediate Similarity NPC475622
0.7619 Intermediate Similarity NPC108045
0.7614 Intermediate Similarity NPC472466
0.7595 Intermediate Similarity NPC469691
0.7595 Intermediate Similarity NPC167049
0.759 Intermediate Similarity NPC471661
0.7561 Intermediate Similarity NPC153987
0.7561 Intermediate Similarity NPC44083
0.7556 Intermediate Similarity NPC472467
0.7532 Intermediate Similarity NPC329656
0.7532 Intermediate Similarity NPC144647
0.75 Intermediate Similarity NPC469669
0.75 Intermediate Similarity NPC469678
0.75 Intermediate Similarity NPC475771
0.7473 Intermediate Similarity NPC240838
0.7471 Intermediate Similarity NPC471657
0.7471 Intermediate Similarity NPC45957
0.7467 Intermediate Similarity NPC477009
0.7467 Intermediate Similarity NPC238352
0.7419 Intermediate Similarity NPC470188
0.7412 Intermediate Similarity NPC139206
0.7407 Intermediate Similarity NPC472472
0.7391 Intermediate Similarity NPC304899
0.7391 Intermediate Similarity NPC113433
0.7391 Intermediate Similarity NPC253115
0.7391 Intermediate Similarity NPC477354
0.7391 Intermediate Similarity NPC475178
0.7386 Intermediate Similarity NPC224652
0.7368 Intermediate Similarity NPC200672
0.7368 Intermediate Similarity NPC214714
0.7356 Intermediate Similarity NPC286153
0.7349 Intermediate Similarity NPC469608
0.734 Intermediate Similarity NPC98813
0.734 Intermediate Similarity NPC13743
0.7333 Intermediate Similarity NPC469723
0.7333 Intermediate Similarity NPC290651
0.7326 Intermediate Similarity NPC222634
0.7317 Intermediate Similarity NPC471454
0.7317 Intermediate Similarity NPC84360
0.7312 Intermediate Similarity NPC347923
0.7312 Intermediate Similarity NPC476057
0.7312 Intermediate Similarity NPC475032
0.7312 Intermediate Similarity NPC475033
0.7312 Intermediate Similarity NPC182811
0.7303 Intermediate Similarity NPC474679
0.7303 Intermediate Similarity NPC4986
0.7297 Intermediate Similarity NPC63111
0.7263 Intermediate Similarity NPC26557
0.7262 Intermediate Similarity NPC80622
0.7262 Intermediate Similarity NPC469802
0.7253 Intermediate Similarity NPC477361
0.7253 Intermediate Similarity NPC202824
0.725 Intermediate Similarity NPC476709
0.7241 Intermediate Similarity NPC474349
0.7241 Intermediate Similarity NPC474189
0.7234 Intermediate Similarity NPC79449
0.7234 Intermediate Similarity NPC474957
0.7234 Intermediate Similarity NPC477355
0.7234 Intermediate Similarity NPC274458
0.7229 Intermediate Similarity NPC3852
0.7222 Intermediate Similarity NPC10274
0.7215 Intermediate Similarity NPC475310
0.7209 Intermediate Similarity NPC231601
0.7209 Intermediate Similarity NPC272814
0.7195 Intermediate Similarity NPC301525
0.7191 Intermediate Similarity NPC28227
0.7191 Intermediate Similarity NPC294480
0.7188 Intermediate Similarity NPC471757
0.7188 Intermediate Similarity NPC22388
0.7188 Intermediate Similarity NPC105725
0.7188 Intermediate Similarity NPC475956
0.7188 Intermediate Similarity NPC78127
0.7188 Intermediate Similarity NPC49393
0.7188 Intermediate Similarity NPC252242
0.7188 Intermediate Similarity NPC470972
0.7183 Intermediate Similarity NPC223604
0.7176 Intermediate Similarity NPC207188
0.7176 Intermediate Similarity NPC191711
0.7174 Intermediate Similarity NPC161998
0.7174 Intermediate Similarity NPC140277
0.7174 Intermediate Similarity NPC90453
0.7162 Intermediate Similarity NPC252809
0.716 Intermediate Similarity NPC475517
0.716 Intermediate Similarity NPC471659
0.716 Intermediate Similarity NPC474524
0.7159 Intermediate Similarity NPC195640
0.7159 Intermediate Similarity NPC471480
0.7158 Intermediate Similarity NPC79631
0.7158 Intermediate Similarity NPC208358
0.7143 Intermediate Similarity NPC469690
0.7143 Intermediate Similarity NPC234335
0.7143 Intermediate Similarity NPC325869
0.7143 Intermediate Similarity NPC469328
0.7143 Intermediate Similarity NPC66504
0.7143 Intermediate Similarity NPC249034
0.7128 Intermediate Similarity NPC477949
0.7126 Intermediate Similarity NPC102048
0.7126 Intermediate Similarity NPC100391
0.7126 Intermediate Similarity NPC154893
0.7126 Intermediate Similarity NPC53011
0.7126 Intermediate Similarity NPC475796
0.7126 Intermediate Similarity NPC16887
0.7126 Intermediate Similarity NPC37005
0.7125 Intermediate Similarity NPC41886
0.7113 Intermediate Similarity NPC474783
0.7113 Intermediate Similarity NPC260809
0.7113 Intermediate Similarity NPC160583
0.7113 Intermediate Similarity NPC232515
0.7111 Intermediate Similarity NPC472872
0.7111 Intermediate Similarity NPC473647
0.7097 Intermediate Similarity NPC67584
0.7089 Intermediate Similarity NPC304690
0.7089 Intermediate Similarity NPC74722
0.7083 Intermediate Similarity NPC477356
0.7083 Intermediate Similarity NPC222875
0.7083 Intermediate Similarity NPC268829
0.7083 Intermediate Similarity NPC247701
0.7083 Intermediate Similarity NPC295110
0.7083 Intermediate Similarity NPC25177
0.7083 Intermediate Similarity NPC155974
0.7083 Intermediate Similarity NPC298233
0.7079 Intermediate Similarity NPC270270
0.7079 Intermediate Similarity NPC478104
0.7079 Intermediate Similarity NPC312215
0.7073 Intermediate Similarity NPC475861
0.7065 Intermediate Similarity NPC470187
0.7059 Intermediate Similarity NPC156658
0.7059 Intermediate Similarity NPC258965
0.7053 Intermediate Similarity NPC271387
0.7053 Intermediate Similarity NPC221615
0.7053 Intermediate Similarity NPC153792
0.7051 Intermediate Similarity NPC259299
0.7051 Intermediate Similarity NPC472266
0.7045 Intermediate Similarity NPC323765
0.7045 Intermediate Similarity NPC235792
0.7037 Intermediate Similarity NPC470237
0.7033 Intermediate Similarity NPC123854
0.7033 Intermediate Similarity NPC301969
0.7033 Intermediate Similarity NPC209816
0.7033 Intermediate Similarity NPC470832
0.7033 Intermediate Similarity NPC37607
0.703 Intermediate Similarity NPC15551
0.7027 Intermediate Similarity NPC5698
0.7024 Intermediate Similarity NPC474056
0.7021 Intermediate Similarity NPC276103
0.7021 Intermediate Similarity NPC209297
0.7021 Intermediate Similarity NPC194132
0.7021 Intermediate Similarity NPC54248
0.7021 Intermediate Similarity NPC42042
0.7021 Intermediate Similarity NPC475380
0.7021 Intermediate Similarity NPC213078
0.7013 Intermediate Similarity NPC469326
0.7013 Intermediate Similarity NPC261782
0.7013 Intermediate Similarity NPC205618
0.7011 Intermediate Similarity NPC473742
0.7011 Intermediate Similarity NPC475842
0.7011 Intermediate Similarity NPC471340
0.701 Intermediate Similarity NPC475986
0.7 Intermediate Similarity NPC247406
0.7 Intermediate Similarity NPC48866
0.7 Intermediate Similarity NPC93411
0.7 Intermediate Similarity NPC183546
0.7 Intermediate Similarity NPC471781
0.7 Intermediate Similarity NPC470041
0.6989 Remote Similarity NPC304968
0.6989 Remote Similarity NPC474922
0.6989 Remote Similarity NPC128488
0.6989 Remote Similarity NPC39453
0.6989 Remote Similarity NPC7165
0.6988 Remote Similarity NPC268111
0.6988 Remote Similarity NPC310643

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC186109 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
0.7303 Intermediate Similarity NPD1695 Approved
0.7303 Intermediate Similarity NPD6051 Approved
0.7159 Intermediate Similarity NPD6684 Approved
0.7159 Intermediate Similarity NPD7521 Approved
0.7159 Intermediate Similarity NPD7334 Approved
0.7159 Intermediate Similarity NPD7146 Approved
0.7159 Intermediate Similarity NPD6409 Approved
0.7159 Intermediate Similarity NPD5330 Approved
0.7143 Intermediate Similarity NPD6008 Approved
0.7045 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD6903 Approved
0.6966 Remote Similarity NPD6098 Approved
0.6932 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6435 Approved
0.6889 Remote Similarity NPD4251 Approved
0.6889 Remote Similarity NPD4250 Approved
0.686 Remote Similarity NPD5790 Clinical (unspecified phase)
0.686 Remote Similarity NPD4822 Approved
0.686 Remote Similarity NPD4821 Approved
0.686 Remote Similarity NPD4819 Approved
0.686 Remote Similarity NPD4820 Approved
0.6818 Remote Similarity NPD6695 Phase 3
0.6818 Remote Similarity NPD5362 Discontinued
0.6782 Remote Similarity NPD5369 Approved
0.6778 Remote Similarity NPD4249 Approved
0.6747 Remote Similarity NPD6926 Approved
0.6747 Remote Similarity NPD6924 Approved
0.6739 Remote Similarity NPD6673 Approved
0.6739 Remote Similarity NPD6080 Approved
0.6739 Remote Similarity NPD6904 Approved
0.6737 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6702 Remote Similarity NPD6399 Phase 3
0.6701 Remote Similarity NPD7638 Approved
0.6667 Remote Similarity NPD6931 Approved
0.6667 Remote Similarity NPD6930 Phase 2
0.6667 Remote Similarity NPD5368 Approved
0.6633 Remote Similarity NPD7640 Approved
0.6633 Remote Similarity NPD7639 Approved
0.663 Remote Similarity NPD6672 Approved
0.663 Remote Similarity NPD5737 Approved
0.663 Remote Similarity NPD5208 Approved
0.6629 Remote Similarity NPD5332 Approved
0.6629 Remote Similarity NPD5331 Approved
0.6628 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6628 Remote Similarity NPD4268 Approved
0.6628 Remote Similarity NPD4271 Approved
0.6598 Remote Similarity NPD6083 Phase 2
0.6598 Remote Similarity NPD6084 Phase 2
0.6596 Remote Similarity NPD6050 Approved
0.6596 Remote Similarity NPD7637 Suspended
0.6591 Remote Similarity NPD4790 Discontinued
0.6588 Remote Similarity NPD6933 Approved
0.6562 Remote Similarity NPD5695 Phase 3
0.6552 Remote Similarity NPD6929 Approved
0.6538 Remote Similarity NPD6371 Approved
0.6522 Remote Similarity NPD7524 Approved
0.6522 Remote Similarity NPD7750 Discontinued
0.6512 Remote Similarity NPD6932 Approved
0.6506 Remote Similarity NPD4243 Approved
0.6489 Remote Similarity NPD7838 Discovery
0.6489 Remote Similarity NPD5207 Approved
0.6489 Remote Similarity NPD5692 Phase 3
0.6484 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6477 Remote Similarity NPD7525 Registered
0.6471 Remote Similarity NPD5739 Approved
0.6471 Remote Similarity NPD7128 Approved
0.6471 Remote Similarity NPD6675 Approved
0.6471 Remote Similarity NPD6402 Approved
0.6458 Remote Similarity NPD6001 Approved
0.6421 Remote Similarity NPD5694 Approved
0.6421 Remote Similarity NPD5693 Phase 1
0.6395 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6364 Remote Similarity NPD6683 Phase 2
0.6364 Remote Similarity NPD5696 Approved
0.6364 Remote Similarity NPD4195 Approved
0.6353 Remote Similarity NPD4785 Approved
0.6353 Remote Similarity NPD4784 Approved
0.6346 Remote Similarity NPD6899 Approved
0.6346 Remote Similarity NPD6881 Approved
0.6346 Remote Similarity NPD7320 Approved
0.6344 Remote Similarity NPD4751 Clinical (unspecified phase)
0.6333 Remote Similarity NPD4270 Approved
0.6333 Remote Similarity NPD4269 Approved
0.6333 Remote Similarity NPD5209 Approved
0.6322 Remote Similarity NPD6925 Approved
0.6322 Remote Similarity NPD5776 Phase 2
0.6316 Remote Similarity NPD46 Approved
0.6316 Remote Similarity NPD5785 Approved
0.6316 Remote Similarity NPD6698 Approved
0.6304 Remote Similarity NPD6893 Approved
0.63 Remote Similarity NPD6648 Approved
0.6292 Remote Similarity NPD7509 Discontinued
0.6292 Remote Similarity NPD7514 Phase 3
0.6289 Remote Similarity NPD5707 Approved
0.6286 Remote Similarity NPD6372 Approved
0.6286 Remote Similarity NPD6373 Approved
0.6279 Remote Similarity NPD6942 Approved
0.6279 Remote Similarity NPD7339 Approved
0.6273 Remote Similarity NPD7327 Approved
0.6273 Remote Similarity NPD7328 Approved
0.6265 Remote Similarity NPD6922 Approved
0.6265 Remote Similarity NPD6923 Approved
0.6264 Remote Similarity NPD7154 Phase 3
0.6262 Remote Similarity NPD6053 Discontinued
0.625 Remote Similarity NPD7899 Clinical (unspecified phase)
0.625 Remote Similarity NPD5281 Approved
0.625 Remote Similarity NPD5701 Approved
0.625 Remote Similarity NPD7087 Discontinued
0.625 Remote Similarity NPD6412 Phase 2
0.625 Remote Similarity NPD5697 Approved
0.625 Remote Similarity NPD7145 Approved
0.625 Remote Similarity NPD5284 Approved
0.6238 Remote Similarity NPD5344 Discontinued
0.6237 Remote Similarity NPD5786 Approved
0.6226 Remote Similarity NPD7290 Approved
0.6226 Remote Similarity NPD6883 Approved
0.6226 Remote Similarity NPD7102 Approved
0.6222 Remote Similarity NPD6902 Approved
0.6216 Remote Similarity NPD7516 Approved
0.6204 Remote Similarity NPD4632 Approved
0.6196 Remote Similarity NPD4786 Approved
0.6196 Remote Similarity NPD3666 Approved
0.6196 Remote Similarity NPD3665 Phase 1
0.6196 Remote Similarity NPD3133 Approved
0.619 Remote Similarity NPD6011 Approved
0.619 Remote Similarity NPD7143 Approved
0.619 Remote Similarity NPD7144 Approved
0.6186 Remote Similarity NPD4202 Approved
0.6168 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6168 Remote Similarity NPD6650 Approved
0.6168 Remote Similarity NPD8130 Phase 1
0.6168 Remote Similarity NPD6617 Approved
0.6168 Remote Similarity NPD6649 Approved
0.6168 Remote Similarity NPD6869 Approved
0.6168 Remote Similarity NPD6847 Approved
0.6161 Remote Similarity NPD8294 Approved
0.6161 Remote Similarity NPD8377 Approved
0.6154 Remote Similarity NPD4223 Phase 3
0.6154 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4221 Approved
0.614 Remote Similarity NPD7604 Phase 2
0.6132 Remote Similarity NPD6012 Approved
0.6132 Remote Similarity NPD6013 Approved
0.6132 Remote Similarity NPD6014 Approved
0.6129 Remote Similarity NPD5329 Approved
0.6129 Remote Similarity NPD5363 Approved
0.6122 Remote Similarity NPD5282 Discontinued
0.6118 Remote Similarity NPD7151 Approved
0.6118 Remote Similarity NPD7150 Approved
0.6118 Remote Similarity NPD7152 Approved
0.6111 Remote Similarity NPD4252 Approved
0.6111 Remote Similarity NPD7332 Phase 2
0.6111 Remote Similarity NPD6882 Approved
0.6111 Remote Similarity NPD8297 Approved
0.6106 Remote Similarity NPD8335 Approved
0.6106 Remote Similarity NPD8033 Approved
0.6106 Remote Similarity NPD7503 Approved
0.6106 Remote Similarity NPD8378 Approved
0.6106 Remote Similarity NPD8296 Approved
0.6106 Remote Similarity NPD8380 Approved
0.6106 Remote Similarity NPD8379 Approved
0.61 Remote Similarity NPD5959 Approved
0.6095 Remote Similarity NPD6685 Approved
0.6092 Remote Similarity NPD5275 Approved
0.6092 Remote Similarity NPD8039 Approved
0.6092 Remote Similarity NPD4190 Phase 3
0.6082 Remote Similarity NPD8034 Phase 2
0.6082 Remote Similarity NPD8035 Phase 2
0.6061 Remote Similarity NPD5654 Approved
0.6049 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6044 Remote Similarity NPD6898 Phase 1
0.6042 Remote Similarity NPD4753 Phase 2
0.6036 Remote Similarity NPD6009 Approved
0.6022 Remote Similarity NPD5766 Clinical (unspecified phase)
0.6022 Remote Similarity NPD4197 Approved
0.6019 Remote Similarity NPD7632 Discontinued
0.6018 Remote Similarity NPD6319 Approved
0.5979 Remote Similarity NPD3168 Discontinued
0.5978 Remote Similarity NPD3667 Approved
0.5965 Remote Similarity NPD5983 Phase 2
0.5962 Remote Similarity NPD6052 Approved
0.596 Remote Similarity NPD7900 Approved
0.596 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5957 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5957 Remote Similarity NPD1694 Approved
0.5948 Remote Similarity NPD7492 Approved
0.5941 Remote Similarity NPD4755 Approved
0.5934 Remote Similarity NPD4748 Discontinued
0.593 Remote Similarity NPD5777 Approved
0.5918 Remote Similarity NPD7983 Approved
0.5918 Remote Similarity NPD6411 Approved
0.5914 Remote Similarity NPD4788 Approved
0.5897 Remote Similarity NPD7507 Approved
0.5897 Remote Similarity NPD6336 Discontinued
0.5897 Remote Similarity NPD6616 Approved
0.5895 Remote Similarity NPD5690 Phase 2
0.5895 Remote Similarity NPD4138 Approved
0.5895 Remote Similarity NPD5205 Approved

Structure

External Identifiers

PubChem CID   51040054
ChEMBL   CHEMBL1689079
ZINC  

Physicochemical Properties

Molecular Weight:  346.25
ALogP:  3.2374
MLogP:  3.55
XLogP:  5.189
# Rotatable Bonds:  8
Polar Surface Area:  38.83
# H-Bond Aceptor:  3
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  25

Download Data

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