Natural Product: NPC226242

Natural Product ID:  NPC226242
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  GUSAEAVUMKCIQK-KCAVMMMUSA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-13(2)15-11-17(21)19(4)12-18-20(5,22-18)10-6-7-14(3)8-9-16(15)19/h7,15-16,18H,1,6,8-12H2,2-5H3/b14-7+/t15-,16+,18+,19-,20+/m1/s1
Canonical SMILES:  C/C/1=CCC[C@]2(C)O[C@H]2C[C@@]2([C@@H](CC1)[C@H](CC2=O)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]
NPO29308 Mycobacterium marinum Species Mycobacteriaceae Bacteria UNPD*
NPO31140 Dilophus spiralis Species Dictyotaceae Eukaryota PMID[21190330]
NPO29285 Dendrobium densiflorum Species Orchidaceae Eukaryota UNPD*
NPO29313 Halomonas meridiana Species Halomonadaceae Bacteria UNPD*
NPO29146 Polygonatum kingianum Species Asparagaceae Eukaryota 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 > 128 ug/ml 21190330
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 128 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 NPC226242 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
0.9571 High Similarity NPC92909
0.9571 High Similarity NPC107783
0.9167 High Similarity NPC469691
0.9167 High Similarity NPC167049
0.9041 High Similarity NPC475771
0.9041 High Similarity NPC469669
0.9041 High Similarity NPC469678
0.8974 High Similarity NPC475796
0.8933 High Similarity NPC474056
0.8333 Intermediate Similarity NPC469608
0.8169 Intermediate Similarity NPC140233
0.8169 Intermediate Similarity NPC287744
0.8148 Intermediate Similarity NPC475622
0.8148 Intermediate Similarity NPC108045
0.8108 Intermediate Similarity NPC477448
0.8108 Intermediate Similarity NPC477449
0.8101 Intermediate Similarity NPC469690
0.8072 Intermediate Similarity NPC469676
0.7975 Intermediate Similarity NPC207186
0.7949 Intermediate Similarity NPC469646
0.7875 Intermediate Similarity NPC469620
0.7875 Intermediate Similarity NPC80999
0.7867 Intermediate Similarity NPC261398
0.7867 Intermediate Similarity NPC469677
0.7865 Intermediate Similarity NPC477354
0.7857 Intermediate Similarity NPC261253
0.7857 Intermediate Similarity NPC474045
0.7848 Intermediate Similarity NPC276769
0.7821 Intermediate Similarity NPC475861
0.7738 Intermediate Similarity NPC202868
0.7727 Intermediate Similarity NPC202824
0.7727 Intermediate Similarity NPC477361
0.7711 Intermediate Similarity NPC278648
0.7711 Intermediate Similarity NPC476082
0.7692 Intermediate Similarity NPC477355
0.7683 Intermediate Similarity NPC207188
0.7654 Intermediate Similarity NPC261125
0.7654 Intermediate Similarity NPC181195
0.7632 Intermediate Similarity NPC22301
0.7632 Intermediate Similarity NPC296522
0.7632 Intermediate Similarity NPC144511
0.7625 Intermediate Similarity NPC186109
0.7625 Intermediate Similarity NPC122264
0.7619 Intermediate Similarity NPC100391
0.7614 Intermediate Similarity NPC262870
0.7609 Intermediate Similarity NPC112167
0.7595 Intermediate Similarity NPC474011
0.7595 Intermediate Similarity NPC474419
0.7595 Intermediate Similarity NPC251435
0.759 Intermediate Similarity NPC145963
0.7586 Intermediate Similarity NPC474679
0.7571 Intermediate Similarity NPC55004
0.7571 Intermediate Similarity NPC267626
0.7571 Intermediate Similarity NPC49575
0.7564 Intermediate Similarity NPC470237
0.7561 Intermediate Similarity NPC47747
0.7532 Intermediate Similarity NPC475310
0.7529 Intermediate Similarity NPC470223
0.7528 Intermediate Similarity NPC125180
0.7527 Intermediate Similarity NPC477356
0.75 Intermediate Similarity NPC215481
0.75 Intermediate Similarity NPC470046
0.75 Intermediate Similarity NPC469688
0.75 Intermediate Similarity NPC272814
0.75 Intermediate Similarity NPC473629
0.75 Intermediate Similarity NPC271070
0.75 Intermediate Similarity NPC109556
0.75 Intermediate Similarity NPC470047
0.7471 Intermediate Similarity NPC28227
0.7444 Intermediate Similarity NPC174051
0.7444 Intermediate Similarity NPC67831
0.7442 Intermediate Similarity NPC470051
0.7442 Intermediate Similarity NPC470050
0.7439 Intermediate Similarity NPC476177
0.7439 Intermediate Similarity NPC617
0.7416 Intermediate Similarity NPC218301
0.7416 Intermediate Similarity NPC221282
0.7412 Intermediate Similarity NPC230527
0.7412 Intermediate Similarity NPC109512
0.7412 Intermediate Similarity NPC7927
0.7407 Intermediate Similarity NPC15975
0.7407 Intermediate Similarity NPC195785
0.7391 Intermediate Similarity NPC87090
0.7386 Intermediate Similarity NPC41217
0.7381 Intermediate Similarity NPC240302
0.7375 Intermediate Similarity NPC216791
0.7375 Intermediate Similarity NPC113639
0.7363 Intermediate Similarity NPC472469
0.7361 Intermediate Similarity NPC259261
0.7356 Intermediate Similarity NPC167877
0.7349 Intermediate Similarity NPC293418
0.7349 Intermediate Similarity NPC73052
0.7349 Intermediate Similarity NPC290508
0.7342 Intermediate Similarity NPC300940
0.734 Intermediate Similarity NPC237190
0.7333 Intermediate Similarity NPC37816
0.7326 Intermediate Similarity NPC323765
0.7326 Intermediate Similarity NPC474218
0.7326 Intermediate Similarity NPC161957
0.7326 Intermediate Similarity NPC96621
0.7326 Intermediate Similarity NPC470048
0.7324 Intermediate Similarity NPC230823
0.7317 Intermediate Similarity NPC35574
0.7317 Intermediate Similarity NPC474341
0.7312 Intermediate Similarity NPC470188
0.7308 Intermediate Similarity NPC472955
0.7303 Intermediate Similarity NPC49946
0.7303 Intermediate Similarity NPC2946
0.7303 Intermediate Similarity NPC306168
0.7294 Intermediate Similarity NPC54468
0.7294 Intermediate Similarity NPC475989
0.7284 Intermediate Similarity NPC474527
0.7284 Intermediate Similarity NPC472959
0.7284 Intermediate Similarity NPC471726
0.7273 Intermediate Similarity NPC469679
0.7273 Intermediate Similarity NPC471941
0.7273 Intermediate Similarity NPC328539
0.7273 Intermediate Similarity NPC477710
0.7263 Intermediate Similarity NPC118405
0.7262 Intermediate Similarity NPC255580
0.7262 Intermediate Similarity NPC141810
0.7262 Intermediate Similarity NPC39411
0.7262 Intermediate Similarity NPC475665
0.7262 Intermediate Similarity NPC136150
0.7262 Intermediate Similarity NPC286229
0.726 Intermediate Similarity NPC25853
0.7253 Intermediate Similarity NPC56525
0.725 Intermediate Similarity NPC472966
0.725 Intermediate Similarity NPC469643
0.725 Intermediate Similarity NPC206875
0.725 Intermediate Similarity NPC469641
0.7241 Intermediate Similarity NPC104961
0.7241 Intermediate Similarity NPC70422
0.7241 Intermediate Similarity NPC264127
0.7241 Intermediate Similarity NPC70555
0.7241 Intermediate Similarity NPC195640
0.7237 Intermediate Similarity NPC304665
0.7237 Intermediate Similarity NPC126899
0.7237 Intermediate Similarity NPC154728
0.7229 Intermediate Similarity NPC182550
0.7229 Intermediate Similarity NPC229204
0.7229 Intermediate Similarity NPC136033
0.7229 Intermediate Similarity NPC622
0.7229 Intermediate Similarity NPC215843
0.7229 Intermediate Similarity NPC276647
0.7229 Intermediate Similarity NPC471740
0.7222 Intermediate Similarity NPC266295
0.7222 Intermediate Similarity NPC94991
0.7222 Intermediate Similarity NPC472953
0.7222 Intermediate Similarity NPC30215
0.7222 Intermediate Similarity NPC290651
0.7215 Intermediate Similarity NPC469737
0.7209 Intermediate Similarity NPC221758
0.7209 Intermediate Similarity NPC238197
0.7209 Intermediate Similarity NPC90446
0.7209 Intermediate Similarity NPC214043
0.7209 Intermediate Similarity NPC59453
0.7209 Intermediate Similarity NPC473246
0.7209 Intermediate Similarity NPC85774
0.7209 Intermediate Similarity NPC82902
0.7204 Intermediate Similarity NPC470834
0.7204 Intermediate Similarity NPC151488
0.72 Intermediate Similarity NPC473902
0.7195 Intermediate Similarity NPC476264
0.7195 Intermediate Similarity NPC476325
0.7191 Intermediate Similarity NPC123912
0.7191 Intermediate Similarity NPC170775
0.7191 Intermediate Similarity NPC86319
0.7191 Intermediate Similarity NPC174765
0.7191 Intermediate Similarity NPC275740
0.7191 Intermediate Similarity NPC477943
0.7179 Intermediate Similarity NPC10758
0.7179 Intermediate Similarity NPC199557
0.7179 Intermediate Similarity NPC5714
0.7179 Intermediate Similarity NPC250928
0.7176 Intermediate Similarity NPC133844
0.7176 Intermediate Similarity NPC475936
0.7176 Intermediate Similarity NPC470813
0.7176 Intermediate Similarity NPC151519
0.7176 Intermediate Similarity NPC328351
0.7174 Intermediate Similarity NPC469599
0.7162 Intermediate Similarity NPC253204
0.7162 Intermediate Similarity NPC475795
0.7162 Intermediate Similarity NPC294304
0.7162 Intermediate Similarity NPC228574
0.716 Intermediate Similarity NPC324762
0.716 Intermediate Similarity NPC77501
0.7159 Intermediate Similarity NPC231889
0.7159 Intermediate Similarity NPC471739
0.7159 Intermediate Similarity NPC136548
0.7159 Intermediate Similarity NPC38885
0.7159 Intermediate Similarity NPC475703
0.7159 Intermediate Similarity NPC90652
0.7158 Intermediate Similarity NPC477950
0.7158 Intermediate Similarity NPC195192
0.7158 Intermediate Similarity NPC304738
0.7143 Intermediate Similarity NPC109414
0.7143 Intermediate Similarity NPC304795
0.7143 Intermediate Similarity NPC276356
0.7143 Intermediate Similarity NPC469868

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC226242 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
0.7241 Intermediate Similarity NPD5330 Approved
0.7241 Intermediate Similarity NPD6684 Approved
0.7241 Intermediate Similarity NPD7334 Approved
0.7241 Intermediate Similarity NPD7521 Approved
0.7241 Intermediate Similarity NPD7146 Approved
0.7241 Intermediate Similarity NPD6409 Approved
0.7216 Intermediate Similarity NPD6008 Approved
0.7209 Intermediate Similarity NPD4786 Approved
0.7191 Intermediate Similarity NPD5328 Approved
0.7176 Intermediate Similarity NPD3667 Approved
0.7176 Intermediate Similarity NPD6435 Approved
0.7143 Intermediate Similarity NPD6399 Phase 3
0.7108 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD5737 Approved
0.7079 Intermediate Similarity NPD6903 Approved
0.7079 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7079 Intermediate Similarity NPD6672 Approved
0.7059 Intermediate Similarity NPD5369 Approved
0.7045 Intermediate Similarity NPD6098 Approved
0.7045 Intermediate Similarity NPD5279 Phase 3
0.7045 Intermediate Similarity NPD3618 Phase 1
0.7033 Intermediate Similarity NPD6079 Approved
0.7011 Intermediate Similarity NPD3666 Approved
0.7011 Intermediate Similarity NPD3133 Approved
0.7011 Intermediate Similarity NPD3665 Phase 1
0.7011 Intermediate Similarity NPD3668 Phase 3
0.7 Intermediate Similarity NPD1695 Approved
0.6989 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6977 Remote Similarity NPD4223 Phase 3
0.6977 Remote Similarity NPD4221 Approved
0.6941 Remote Similarity NPD5368 Approved
0.6932 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6923 Remote Similarity NPD5207 Approved
0.6915 Remote Similarity NPD4697 Phase 3
0.6889 Remote Similarity NPD5208 Approved
0.6882 Remote Similarity NPD6001 Approved
0.6854 Remote Similarity NPD5786 Approved
0.6842 Remote Similarity NPD4755 Approved
0.6818 Remote Similarity NPD4197 Approved
0.6813 Remote Similarity NPD6904 Approved
0.6813 Remote Similarity NPD6673 Approved
0.6813 Remote Similarity NPD4753 Phase 2
0.6813 Remote Similarity NPD6080 Approved
0.6809 Remote Similarity NPD5695 Phase 3
0.6795 Remote Similarity NPD7331 Phase 2
0.6774 Remote Similarity NPD4202 Approved
0.6771 Remote Similarity NPD5696 Approved
0.6742 Remote Similarity NPD1694 Approved
0.6742 Remote Similarity NPD5329 Approved
0.6739 Remote Similarity NPD5692 Phase 3
0.6737 Remote Similarity NPD5222 Approved
0.6737 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6737 Remote Similarity NPD5221 Approved
0.6705 Remote Similarity NPD5362 Discontinued
0.6702 Remote Similarity NPD5282 Discontinued
0.6701 Remote Similarity NPD5286 Approved
0.6701 Remote Similarity NPD5285 Approved
0.6701 Remote Similarity NPD4696 Approved
0.6701 Remote Similarity NPD4700 Approved
0.67 Remote Similarity NPD6675 Approved
0.67 Remote Similarity NPD5739 Approved
0.67 Remote Similarity NPD6402 Approved
0.67 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD4690 Approved
0.6667 Remote Similarity NPD6372 Approved
0.6667 Remote Similarity NPD4688 Approved
0.6667 Remote Similarity NPD5205 Approved
0.6667 Remote Similarity NPD6083 Phase 2
0.6667 Remote Similarity NPD6050 Approved
0.6667 Remote Similarity NPD6084 Phase 2
0.6667 Remote Similarity NPD7341 Phase 2
0.6667 Remote Similarity NPD4138 Approved
0.6667 Remote Similarity NPD5690 Phase 2
0.6667 Remote Similarity NPD4694 Approved
0.6667 Remote Similarity NPD6373 Approved
0.6667 Remote Similarity NPD5280 Approved
0.6667 Remote Similarity NPD4689 Approved
0.6667 Remote Similarity NPD5173 Approved
0.6667 Remote Similarity NPD4747 Approved
0.6667 Remote Similarity NPD5694 Approved
0.6667 Remote Similarity NPD4693 Phase 3
0.6667 Remote Similarity NPD5693 Phase 1
0.6634 Remote Similarity NPD5701 Approved
0.6634 Remote Similarity NPD5697 Approved
0.6633 Remote Similarity NPD5223 Approved
0.6632 Remote Similarity NPD4629 Approved
0.6632 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6632 Remote Similarity NPD5210 Approved
0.6627 Remote Similarity NPD6924 Approved
0.6627 Remote Similarity NPD6926 Approved
0.6593 Remote Similarity NPD3573 Approved
0.6591 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6591 Remote Similarity NPD4269 Approved
0.6591 Remote Similarity NPD4270 Approved
0.6585 Remote Similarity NPD5276 Approved
0.6569 Remote Similarity NPD6011 Approved
0.6569 Remote Similarity NPD6881 Approved
0.6569 Remote Similarity NPD7320 Approved
0.6569 Remote Similarity NPD6899 Approved
0.6566 Remote Similarity NPD5224 Approved
0.6566 Remote Similarity NPD5211 Phase 2
0.6566 Remote Similarity NPD4633 Approved
0.6566 Remote Similarity NPD5225 Approved
0.6566 Remote Similarity NPD5226 Approved
0.6559 Remote Similarity NPD5785 Approved
0.6543 Remote Similarity NPD4137 Phase 3
0.6538 Remote Similarity NPD6650 Approved
0.6538 Remote Similarity NPD6649 Approved
0.6522 Remote Similarity NPD4518 Approved
0.6517 Remote Similarity NPD4788 Approved
0.6505 Remote Similarity NPD6013 Approved
0.6505 Remote Similarity NPD6014 Approved
0.6505 Remote Similarity NPD6012 Approved
0.65 Remote Similarity NPD5174 Approved
0.65 Remote Similarity NPD4754 Approved
0.65 Remote Similarity NPD5175 Approved
0.6489 Remote Similarity NPD5284 Approved
0.6489 Remote Similarity NPD6411 Approved
0.6489 Remote Similarity NPD5281 Approved
0.6484 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6477 Remote Similarity NPD4139 Approved
0.6477 Remote Similarity NPD4692 Approved
0.6471 Remote Similarity NPD6933 Approved
0.6463 Remote Similarity NPD4691 Approved
0.6456 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6442 Remote Similarity NPD6883 Approved
0.6442 Remote Similarity NPD7290 Approved
0.6442 Remote Similarity NPD7102 Approved
0.6436 Remote Similarity NPD5141 Approved
0.6429 Remote Similarity NPD5733 Approved
0.6429 Remote Similarity NPD4687 Approved
0.642 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6404 Remote Similarity NPD5209 Approved
0.6383 Remote Similarity NPD4096 Approved
0.6381 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6381 Remote Similarity NPD6869 Approved
0.6381 Remote Similarity NPD8130 Phase 1
0.6381 Remote Similarity NPD6847 Approved
0.6381 Remote Similarity NPD6617 Approved
0.6374 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6374 Remote Similarity NPD5363 Approved
0.6373 Remote Similarity NPD4768 Approved
0.6373 Remote Similarity NPD4767 Approved
0.6364 Remote Similarity NPD4252 Approved
0.6354 Remote Similarity NPD7900 Approved
0.6354 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6353 Remote Similarity NPD8039 Approved
0.6333 Remote Similarity NPD6695 Phase 3
0.6333 Remote Similarity NPD7154 Phase 3
0.6327 Remote Similarity NPD5959 Approved
0.6322 Remote Similarity NPD3617 Approved
0.6321 Remote Similarity NPD8297 Approved
0.6321 Remote Similarity NPD6882 Approved
0.6316 Remote Similarity NPD8034 Phase 2
0.6316 Remote Similarity NPD8035 Phase 2
0.6289 Remote Similarity NPD5654 Approved
0.6277 Remote Similarity NPD6101 Approved
0.6277 Remote Similarity NPD6051 Approved
0.6277 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6264 Remote Similarity NPD7338 Clinical (unspecified phase)
0.625 Remote Similarity NPD4195 Approved
0.625 Remote Similarity NPD5133 Approved
0.625 Remote Similarity NPD5128 Approved
0.625 Remote Similarity NPD4730 Approved
0.625 Remote Similarity NPD4729 Approved
0.6239 Remote Similarity NPD7115 Discovery
0.6235 Remote Similarity NPD4058 Approved
0.6222 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6196 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6186 Remote Similarity NPD7748 Approved
0.618 Remote Similarity NPD6930 Phase 2
0.618 Remote Similarity NPD4822 Approved
0.618 Remote Similarity NPD4695 Discontinued
0.618 Remote Similarity NPD4819 Approved
0.618 Remote Similarity NPD4820 Approved
0.618 Remote Similarity NPD5790 Clinical (unspecified phase)
0.618 Remote Similarity NPD4821 Approved
0.618 Remote Similarity NPD6931 Approved
0.618 Remote Similarity NPD7525 Registered
0.6176 Remote Similarity NPD6052 Approved
0.6163 Remote Similarity NPD7339 Approved
0.6163 Remote Similarity NPD6942 Approved
0.6162 Remote Similarity NPD7902 Approved
0.6154 Remote Similarity NPD5331 Approved
0.6154 Remote Similarity NPD5332 Approved
0.6147 Remote Similarity NPD6274 Approved
0.6145 Remote Similarity NPD6923 Approved
0.6145 Remote Similarity NPD6922 Approved
0.6132 Remote Similarity NPD5135 Approved
0.6132 Remote Similarity NPD6371 Approved
0.6132 Remote Similarity NPD5169 Approved
0.6132 Remote Similarity NPD5247 Approved
0.6132 Remote Similarity NPD5249 Phase 3
0.6132 Remote Similarity NPD5134 Clinical (unspecified phase)
0.6132 Remote Similarity NPD4634 Approved
0.6132 Remote Similarity NPD5248 Approved
0.6132 Remote Similarity NPD5251 Approved
0.6132 Remote Similarity NPD5250 Approved
0.6129 Remote Similarity NPD4519 Discontinued
0.6129 Remote Similarity NPD4623 Approved

Structure

External Identifiers

PubChem CID   51040052
ChEMBL   CHEMBL1689077
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  2.8844
MLogP:  3.44
XLogP:  3.842
# Rotatable Bonds:  5
Polar Surface Area:  29.6
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
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