Natural Product: NPC107783

Natural Product ID:  NPC107783
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  BGCBFCPMURPDPJ-DKMZEYLLSA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-13(2)15-12-17(21)19(4)10-8-14(3)6-7-18-20(5,22-18)11-9-16(15)19/h8,15-16,18H,1,6-7,9-12H2,2-5H3/b14-8+/t15-,16+,18+,19-,20+/m1/s1
Canonical SMILES:  C/C/1=CC[C@@]2(C)C(=O)C[C@@H]([C@@H]2CC[C@]2([C@H](CC1)O2)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]
NPO29308 Mycobacterium marinum Species Mycobacteriaceae Bacteria UNPD*
NPO29313 Halomonas meridiana Species Halomonadaceae Bacteria UNPD*
NPO29285 Dendrobium densiflorum Species Orchidaceae Eukaryota 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

  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 NPC107783 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
1.0 High Similarity NPC92909
0.9571 High Similarity NPC226242
0.9565 High Similarity NPC167049
0.9565 High Similarity NPC469691
0.9429 High Similarity NPC469669
0.9429 High Similarity NPC469678
0.9429 High Similarity NPC475771
0.8784 High Similarity NPC474056
0.859 High Similarity NPC475796
0.8529 High Similarity NPC287744
0.8529 High Similarity NPC140233
0.8462 Intermediate Similarity NPC475622
0.8462 Intermediate Similarity NPC108045
0.8194 Intermediate Similarity NPC477449
0.8194 Intermediate Similarity NPC469677
0.8194 Intermediate Similarity NPC477448
0.8182 Intermediate Similarity NPC469608
0.8148 Intermediate Similarity NPC474045
0.8148 Intermediate Similarity NPC261253
0.7949 Intermediate Similarity NPC469690
0.7945 Intermediate Similarity NPC22301
0.7927 Intermediate Similarity NPC469676
0.7922 Intermediate Similarity NPC186109
0.791 Intermediate Similarity NPC267626
0.791 Intermediate Similarity NPC55004
0.791 Intermediate Similarity NPC49575
0.7895 Intermediate Similarity NPC475861
0.7882 Intermediate Similarity NPC262870
0.7875 Intermediate Similarity NPC145963
0.7867 Intermediate Similarity NPC470237
0.7838 Intermediate Similarity NPC475310
0.7821 Intermediate Similarity NPC207186
0.7808 Intermediate Similarity NPC469688
0.7792 Intermediate Similarity NPC215481
0.7792 Intermediate Similarity NPC271070
0.7792 Intermediate Similarity NPC469646
0.7778 Intermediate Similarity NPC470047
0.7778 Intermediate Similarity NPC470046
0.7722 Intermediate Similarity NPC469620
0.7722 Intermediate Similarity NPC476177
0.7711 Intermediate Similarity NPC470050
0.7711 Intermediate Similarity NPC470051
0.7703 Intermediate Similarity NPC144511
0.7703 Intermediate Similarity NPC261398
0.7703 Intermediate Similarity NPC296522
0.7701 Intermediate Similarity NPC67831
0.7701 Intermediate Similarity NPC174051
0.7692 Intermediate Similarity NPC276769
0.7683 Intermediate Similarity NPC100391
0.7681 Intermediate Similarity NPC259261
0.7662 Intermediate Similarity NPC474419
0.7662 Intermediate Similarity NPC113639
0.7662 Intermediate Similarity NPC251435
0.7647 Intermediate Similarity NPC230823
0.759 Intermediate Similarity NPC202868
0.759 Intermediate Similarity NPC323765
0.759 Intermediate Similarity NPC96621
0.759 Intermediate Similarity NPC470048
0.759 Intermediate Similarity NPC470223
0.7571 Intermediate Similarity NPC25853
0.7568 Intermediate Similarity NPC469679
0.7561 Intermediate Similarity NPC476082
0.7561 Intermediate Similarity NPC278648
0.7558 Intermediate Similarity NPC306168
0.7558 Intermediate Similarity NPC49946
0.7536 Intermediate Similarity NPC266295
0.7536 Intermediate Similarity NPC94991
0.7536 Intermediate Similarity NPC30215
0.7532 Intermediate Similarity NPC206875
0.7531 Intermediate Similarity NPC136150
0.7529 Intermediate Similarity NPC28227
0.7528 Intermediate Similarity NPC477354
0.75 Intermediate Similarity NPC261125
0.75 Intermediate Similarity NPC617
0.75 Intermediate Similarity NPC195640
0.75 Intermediate Similarity NPC181195
0.75 Intermediate Similarity NPC215843
0.75 Intermediate Similarity NPC264127
0.75 Intermediate Similarity NPC80999
0.75 Intermediate Similarity NPC229204
0.75 Intermediate Similarity NPC473902
0.747 Intermediate Similarity NPC221758
0.747 Intermediate Similarity NPC59453
0.747 Intermediate Similarity NPC473246
0.747 Intermediate Similarity NPC82902
0.747 Intermediate Similarity NPC85774
0.747 Intermediate Similarity NPC214043
0.7468 Intermediate Similarity NPC195785
0.7468 Intermediate Similarity NPC15975
0.7468 Intermediate Similarity NPC476325
0.7468 Intermediate Similarity NPC476264
0.7465 Intermediate Similarity NPC228574
0.7465 Intermediate Similarity NPC294304
0.7465 Intermediate Similarity NPC475795
0.7444 Intermediate Similarity NPC151488
0.7442 Intermediate Similarity NPC170775
0.7439 Intermediate Similarity NPC328351
0.7439 Intermediate Similarity NPC240302
0.7439 Intermediate Similarity NPC151519
0.7436 Intermediate Similarity NPC474011
0.7436 Intermediate Similarity NPC77501
0.7412 Intermediate Similarity NPC167877
0.7412 Intermediate Similarity NPC90652
0.7407 Intermediate Similarity NPC47747
0.7407 Intermediate Similarity NPC304795
0.7386 Intermediate Similarity NPC477361
0.7386 Intermediate Similarity NPC202824
0.7386 Intermediate Similarity NPC37816
0.7381 Intermediate Similarity NPC474083
0.7381 Intermediate Similarity NPC471224
0.7381 Intermediate Similarity NPC474218
0.7375 Intermediate Similarity NPC474341
0.7375 Intermediate Similarity NPC35574
0.7375 Intermediate Similarity NPC469996
0.7368 Intermediate Similarity NPC472955
0.7363 Intermediate Similarity NPC477355
0.7353 Intermediate Similarity NPC223604
0.7349 Intermediate Similarity NPC193198
0.7349 Intermediate Similarity NPC473629
0.7349 Intermediate Similarity NPC475989
0.7342 Intermediate Similarity NPC471726
0.7342 Intermediate Similarity NPC476317
0.7342 Intermediate Similarity NPC474527
0.7326 Intermediate Similarity NPC97884
0.7326 Intermediate Similarity NPC470417
0.7326 Intermediate Similarity NPC472220
0.7326 Intermediate Similarity NPC193360
0.7317 Intermediate Similarity NPC207188
0.7317 Intermediate Similarity NPC39411
0.7317 Intermediate Similarity NPC475665
0.7317 Intermediate Similarity NPC255580
0.7317 Intermediate Similarity NPC141810
0.7308 Intermediate Similarity NPC469643
0.7308 Intermediate Similarity NPC469641
0.7308 Intermediate Similarity NPC472966
0.7297 Intermediate Similarity NPC304665
0.7297 Intermediate Similarity NPC126899
0.7297 Intermediate Similarity NPC154728
0.7294 Intermediate Similarity NPC474733
0.7294 Intermediate Similarity NPC469994
0.7294 Intermediate Similarity NPC473168
0.7294 Intermediate Similarity NPC145879
0.7294 Intermediate Similarity NPC31564
0.7294 Intermediate Similarity NPC474732
0.7294 Intermediate Similarity NPC474778
0.7294 Intermediate Similarity NPC89077
0.7294 Intermediate Similarity NPC51014
0.7284 Intermediate Similarity NPC182550
0.7284 Intermediate Similarity NPC477371
0.7284 Intermediate Similarity NPC7232
0.7283 Intermediate Similarity NPC112167
0.7273 Intermediate Similarity NPC221282
0.7273 Intermediate Similarity NPC190442
0.7273 Intermediate Similarity NPC218301
0.7273 Intermediate Similarity NPC40327
0.7262 Intermediate Similarity NPC329043
0.7262 Intermediate Similarity NPC227064
0.7262 Intermediate Similarity NPC238197
0.7262 Intermediate Similarity NPC58841
0.7262 Intermediate Similarity NPC165064
0.7262 Intermediate Similarity NPC237712
0.7262 Intermediate Similarity NPC161423
0.7262 Intermediate Similarity NPC321187
0.7262 Intermediate Similarity NPC109512
0.7262 Intermediate Similarity NPC90446
0.7262 Intermediate Similarity NPC475100
0.7262 Intermediate Similarity NPC25833
0.725 Intermediate Similarity NPC122264
0.7241 Intermediate Similarity NPC2983
0.7241 Intermediate Similarity NPC32830
0.7241 Intermediate Similarity NPC76879
0.7241 Intermediate Similarity NPC474679
0.7241 Intermediate Similarity NPC474245
0.7241 Intermediate Similarity NPC474570
0.7237 Intermediate Similarity NPC199557
0.7237 Intermediate Similarity NPC61702
0.7237 Intermediate Similarity NPC5714
0.7237 Intermediate Similarity NPC162867
0.7229 Intermediate Similarity NPC256750
0.7229 Intermediate Similarity NPC193347
0.7229 Intermediate Similarity NPC475936
0.7229 Intermediate Similarity NPC20262
0.7222 Intermediate Similarity NPC472469
0.7215 Intermediate Similarity NPC324762
0.7215 Intermediate Similarity NPC114236
0.7215 Intermediate Similarity NPC216791
0.7209 Intermediate Similarity NPC475740
0.7209 Intermediate Similarity NPC317590
0.7209 Intermediate Similarity NPC136548
0.7209 Intermediate Similarity NPC469322
0.7209 Intermediate Similarity NPC58063
0.7204 Intermediate Similarity NPC476897
0.7204 Intermediate Similarity NPC477356
0.72 Intermediate Similarity NPC469868
0.7195 Intermediate Similarity NPC170038
0.7195 Intermediate Similarity NPC276356
0.7195 Intermediate Similarity NPC472478
0.7195 Intermediate Similarity NPC45495
0.7191 Intermediate Similarity NPC229976
0.7191 Intermediate Similarity NPC125180

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC107783 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
0.75 Intermediate Similarity NPD6684 Approved
0.75 Intermediate Similarity NPD6409 Approved
0.75 Intermediate Similarity NPD7334 Approved
0.75 Intermediate Similarity NPD7146 Approved
0.75 Intermediate Similarity NPD5330 Approved
0.75 Intermediate Similarity NPD7521 Approved
0.747 Intermediate Similarity NPD4786 Approved
0.7439 Intermediate Similarity NPD3667 Approved
0.7375 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD6903 Approved
0.7326 Intermediate Similarity NPD6672 Approved
0.7326 Intermediate Similarity NPD5737 Approved
0.7326 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD5279 Phase 3
0.7294 Intermediate Similarity NPD6098 Approved
0.7262 Intermediate Similarity NPD3133 Approved
0.7262 Intermediate Similarity NPD3665 Phase 1
0.7262 Intermediate Similarity NPD3668 Phase 3
0.7262 Intermediate Similarity NPD3666 Approved
0.7229 Intermediate Similarity NPD4221 Approved
0.7229 Intermediate Similarity NPD4223 Phase 3
0.7191 Intermediate Similarity NPD6399 Phase 3
0.7126 Intermediate Similarity NPD5208 Approved
0.7108 Intermediate Similarity NPD5369 Approved
0.7093 Intermediate Similarity NPD3618 Phase 1
0.7059 Intermediate Similarity NPD4197 Approved
0.7045 Intermediate Similarity NPD6904 Approved
0.7045 Intermediate Similarity NPD6080 Approved
0.7045 Intermediate Similarity NPD1695 Approved
0.7045 Intermediate Similarity NPD4753 Phase 2
0.7045 Intermediate Similarity NPD5328 Approved
0.7045 Intermediate Similarity NPD6673 Approved
0.7033 Intermediate Similarity NPD5695 Phase 3
0.7033 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD6435 Approved
0.7 Intermediate Similarity NPD4202 Approved
0.6977 Remote Similarity NPD5329 Approved
0.6966 Remote Similarity NPD5692 Phase 3
0.6966 Remote Similarity NPD5207 Approved
0.6941 Remote Similarity NPD5362 Discontinued
0.6923 Remote Similarity NPD6001 Approved
0.6923 Remote Similarity NPD4747 Approved
0.6907 Remote Similarity NPD6008 Approved
0.6897 Remote Similarity NPD4690 Approved
0.6897 Remote Similarity NPD5690 Phase 2
0.6897 Remote Similarity NPD4689 Approved
0.6897 Remote Similarity NPD4693 Phase 3
0.6897 Remote Similarity NPD4688 Approved
0.6897 Remote Similarity NPD5280 Approved
0.6897 Remote Similarity NPD5205 Approved
0.6897 Remote Similarity NPD4138 Approved
0.6897 Remote Similarity NPD4694 Approved
0.6889 Remote Similarity NPD6079 Approved
0.6889 Remote Similarity NPD5694 Approved
0.6889 Remote Similarity NPD6050 Approved
0.6889 Remote Similarity NPD5693 Phase 1
0.6882 Remote Similarity NPD6084 Phase 2
0.6882 Remote Similarity NPD6083 Phase 2
0.6875 Remote Similarity NPD6924 Approved
0.6875 Remote Similarity NPD6926 Approved
0.6835 Remote Similarity NPD5276 Approved
0.6824 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6809 Remote Similarity NPD5696 Approved
0.6795 Remote Similarity NPD4137 Phase 3
0.6786 Remote Similarity NPD5368 Approved
0.6782 Remote Similarity NPD1694 Approved
0.6744 Remote Similarity NPD4788 Approved
0.6742 Remote Similarity NPD4518 Approved
0.6739 Remote Similarity NPD5282 Discontinued
0.6711 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6709 Remote Similarity NPD4691 Approved
0.6707 Remote Similarity NPD6933 Approved
0.6706 Remote Similarity NPD4139 Approved
0.6706 Remote Similarity NPD4692 Approved
0.6702 Remote Similarity NPD4755 Approved
0.6667 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD4687 Approved
0.6667 Remote Similarity NPD4629 Approved
0.6667 Remote Similarity NPD5733 Approved
0.6667 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6628 Remote Similarity NPD4270 Approved
0.6628 Remote Similarity NPD4269 Approved
0.6628 Remote Similarity NPD5209 Approved
0.6623 Remote Similarity NPD7331 Phase 2
0.6596 Remote Similarity NPD5221 Approved
0.6596 Remote Similarity NPD4697 Phase 3
0.6596 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6596 Remote Similarity NPD5222 Approved
0.6593 Remote Similarity NPD4096 Approved
0.6593 Remote Similarity NPD5785 Approved
0.6591 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6585 Remote Similarity NPD8039 Approved
0.6566 Remote Similarity NPD5739 Approved
0.6566 Remote Similarity NPD7128 Approved
0.6566 Remote Similarity NPD6675 Approved
0.6566 Remote Similarity NPD6402 Approved
0.6562 Remote Similarity NPD5286 Approved
0.6562 Remote Similarity NPD5285 Approved
0.6562 Remote Similarity NPD4700 Approved
0.6562 Remote Similarity NPD4696 Approved
0.6552 Remote Similarity NPD6695 Phase 3
0.6552 Remote Similarity NPD7154 Phase 3
0.6548 Remote Similarity NPD3617 Approved
0.6526 Remote Similarity NPD5173 Approved
0.6526 Remote Similarity NPD5959 Approved
0.6522 Remote Similarity NPD5281 Approved
0.6522 Remote Similarity NPD5284 Approved
0.6517 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6517 Remote Similarity NPD5786 Approved
0.65 Remote Similarity NPD5701 Approved
0.65 Remote Similarity NPD5697 Approved
0.6495 Remote Similarity NPD5223 Approved
0.6494 Remote Similarity NPD7341 Phase 2
0.6489 Remote Similarity NPD5654 Approved
0.6484 Remote Similarity NPD6051 Approved
0.6477 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6471 Remote Similarity NPD4195 Approved
0.6463 Remote Similarity NPD4058 Approved
0.6452 Remote Similarity NPD5133 Approved
0.6444 Remote Similarity NPD3573 Approved
0.6436 Remote Similarity NPD6881 Approved
0.6436 Remote Similarity NPD6899 Approved
0.6436 Remote Similarity NPD6011 Approved
0.6436 Remote Similarity NPD7320 Approved
0.6429 Remote Similarity NPD5226 Approved
0.6429 Remote Similarity NPD5224 Approved
0.6429 Remote Similarity NPD5211 Phase 2
0.6429 Remote Similarity NPD4633 Approved
0.6429 Remote Similarity NPD5225 Approved
0.6404 Remote Similarity NPD5363 Approved
0.6404 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6404 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4819 Approved
0.6395 Remote Similarity NPD6931 Approved
0.6395 Remote Similarity NPD4695 Discontinued
0.6395 Remote Similarity NPD4820 Approved
0.6395 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6395 Remote Similarity NPD4822 Approved
0.6395 Remote Similarity NPD7525 Registered
0.6395 Remote Similarity NPD6930 Phase 2
0.6395 Remote Similarity NPD4252 Approved
0.6395 Remote Similarity NPD4821 Approved
0.6386 Remote Similarity NPD6942 Approved
0.6386 Remote Similarity NPD7339 Approved
0.6383 Remote Similarity NPD7748 Approved
0.6383 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6383 Remote Similarity NPD7900 Approved
0.6375 Remote Similarity NPD6923 Approved
0.6375 Remote Similarity NPD6922 Approved
0.6373 Remote Similarity NPD6014 Approved
0.6373 Remote Similarity NPD6012 Approved
0.6373 Remote Similarity NPD6373 Approved
0.6373 Remote Similarity NPD6013 Approved
0.6373 Remote Similarity NPD6372 Approved
0.6364 Remote Similarity NPD5175 Approved
0.6364 Remote Similarity NPD5331 Approved
0.6364 Remote Similarity NPD4754 Approved
0.6364 Remote Similarity NPD5332 Approved
0.6364 Remote Similarity NPD5174 Approved
0.6344 Remote Similarity NPD8035 Phase 2
0.6344 Remote Similarity NPD6411 Approved
0.6344 Remote Similarity NPD8034 Phase 2
0.6333 Remote Similarity NPD4519 Discontinued
0.6333 Remote Similarity NPD4623 Approved
0.6322 Remote Similarity NPD4790 Discontinued
0.6316 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6311 Remote Similarity NPD7102 Approved
0.6311 Remote Similarity NPD7290 Approved
0.6311 Remote Similarity NPD6883 Approved
0.631 Remote Similarity NPD3701 Clinical (unspecified phase)
0.63 Remote Similarity NPD5141 Approved
0.6296 Remote Similarity NPD7144 Approved
0.6296 Remote Similarity NPD7143 Approved
0.6282 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6279 Remote Similarity NPD6929 Approved
0.6264 Remote Similarity NPD7524 Approved
0.6264 Remote Similarity NPD7750 Discontinued
0.6262 Remote Similarity NPD7115 Discovery
0.625 Remote Similarity NPD6649 Approved
0.625 Remote Similarity NPD6401 Clinical (unspecified phase)
0.625 Remote Similarity NPD8130 Phase 1
0.625 Remote Similarity NPD6617 Approved
0.625 Remote Similarity NPD6847 Approved
0.625 Remote Similarity NPD6869 Approved
0.625 Remote Similarity NPD6650 Approved
0.6238 Remote Similarity NPD4767 Approved
0.6238 Remote Similarity NPD4768 Approved
0.6235 Remote Similarity NPD6932 Approved
0.622 Remote Similarity NPD4243 Approved
0.622 Remote Similarity NPD7151 Approved
0.622 Remote Similarity NPD7150 Approved
0.622 Remote Similarity NPD7152 Approved
0.622 Remote Similarity NPD5777 Approved
0.6207 Remote Similarity NPD7509 Discontinued
0.62 Remote Similarity NPD6052 Approved
0.619 Remote Similarity NPD8297 Approved
0.619 Remote Similarity NPD6882 Approved
0.6186 Remote Similarity NPD7902 Approved
0.6176 Remote Similarity NPD6412 Phase 2
0.617 Remote Similarity NPD7637 Suspended

Structure

External Identifiers

PubChem CID   51040055
ChEMBL   CHEMBL1689080
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  2.5996
MLogP:  3.44
XLogP:  3.42
# 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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