Natural Product: NPC469678

Natural Product ID:  NPC469678
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  UOOSOJLICIHJEA-SRPFAFIASA-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/h8,12-13,16,18H,6-7,9-11H2,1-5H3/b14-8-/t16-,18-,19+,20-/m1/s1
Canonical SMILES:  C/C/1=C/C[C@]2(C)C(=O)C=C([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
NPO32701 Eunicea Genus Plexauridae Eukaryota Southwestern Caribbean PMID[20384296]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6 Organism Plasmodium falciparum Plasmodium falciparum IC50 >= 100000 nM 9584409
NPT88 Organism Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition <= 50 % 10.1016/S0960-894X(01)80881-7

  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 NPC469678 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 NPC469669
1.0 High Similarity NPC475771
0.9571 High Similarity NPC469691
0.9571 High Similarity NPC167049
0.9429 High Similarity NPC107783
0.9429 High Similarity NPC92909
0.9041 High Similarity NPC226242
0.8553 High Similarity NPC474056
0.8481 Intermediate Similarity NPC108045
0.8481 Intermediate Similarity NPC475622
0.8472 Intermediate Similarity NPC477448
0.8472 Intermediate Similarity NPC477449
0.8375 Intermediate Similarity NPC475796
0.8205 Intermediate Similarity NPC469608
0.8171 Intermediate Similarity NPC474045
0.8171 Intermediate Similarity NPC261253
0.8125 Intermediate Similarity NPC145963
0.8082 Intermediate Similarity NPC469679
0.8077 Intermediate Similarity NPC207186
0.8028 Intermediate Similarity NPC140233
0.8028 Intermediate Similarity NPC287744
0.7975 Intermediate Similarity NPC476177
0.7975 Intermediate Similarity NPC469690
0.7973 Intermediate Similarity NPC261398
0.7952 Intermediate Similarity NPC469676
0.7949 Intermediate Similarity NPC195785
0.7949 Intermediate Similarity NPC15975
0.7922 Intermediate Similarity NPC474011
0.7838 Intermediate Similarity NPC469688
0.7831 Intermediate Similarity NPC96621
0.7821 Intermediate Similarity NPC215481
0.7821 Intermediate Similarity NPC469646
0.7791 Intermediate Similarity NPC49946
0.7791 Intermediate Similarity NPC306168
0.7778 Intermediate Similarity NPC255580
0.7778 Intermediate Similarity NPC39411
0.775 Intermediate Similarity NPC469620
0.7746 Intermediate Similarity NPC228574
0.7746 Intermediate Similarity NPC294304
0.7733 Intermediate Similarity NPC469677
0.7714 Intermediate Similarity NPC259261
0.7711 Intermediate Similarity NPC475100
0.7692 Intermediate Similarity NPC475861
0.7692 Intermediate Similarity NPC216791
0.7692 Intermediate Similarity NPC251435
0.7674 Intermediate Similarity NPC170775
0.7671 Intermediate Similarity NPC474329
0.7671 Intermediate Similarity NPC474304
0.7662 Intermediate Similarity NPC470237
0.7654 Intermediate Similarity NPC304795
0.7632 Intermediate Similarity NPC475310
0.7619 Intermediate Similarity NPC323765
0.7614 Intermediate Similarity NPC37816
0.7606 Intermediate Similarity NPC25853
0.7595 Intermediate Similarity NPC271070
0.759 Intermediate Similarity NPC193198
0.7571 Intermediate Similarity NPC266295
0.7571 Intermediate Similarity NPC94991
0.7561 Intermediate Similarity NPC475665
0.7561 Intermediate Similarity NPC136150
0.7556 Intermediate Similarity NPC477354
0.7534 Intermediate Similarity NPC473902
0.7531 Intermediate Similarity NPC229204
0.7531 Intermediate Similarity NPC617
0.7531 Intermediate Similarity NPC261125
0.7531 Intermediate Similarity NPC181195
0.7529 Intermediate Similarity NPC195640
0.75 Intermediate Similarity NPC22301
0.75 Intermediate Similarity NPC238197
0.75 Intermediate Similarity NPC144511
0.75 Intermediate Similarity NPC276769
0.75 Intermediate Similarity NPC296522
0.75 Intermediate Similarity NPC97322
0.75 Intermediate Similarity NPC190442
0.75 Intermediate Similarity NPC186109
0.75 Intermediate Similarity NPC262870
0.75 Intermediate Similarity NPC473246
0.75 Intermediate Similarity NPC86917
0.75 Intermediate Similarity NPC214043
0.75 Intermediate Similarity NPC85774
0.7473 Intermediate Similarity NPC151488
0.747 Intermediate Similarity NPC256750
0.747 Intermediate Similarity NPC20262
0.7468 Intermediate Similarity NPC114236
0.7468 Intermediate Similarity NPC474419
0.7468 Intermediate Similarity NPC77501
0.7439 Intermediate Similarity NPC74673
0.7439 Intermediate Similarity NPC276356
0.7439 Intermediate Similarity NPC69271
0.7439 Intermediate Similarity NPC47747
0.7439 Intermediate Similarity NPC302426
0.7429 Intermediate Similarity NPC55004
0.7429 Intermediate Similarity NPC267626
0.7429 Intermediate Similarity NPC49575
0.7416 Intermediate Similarity NPC229976
0.7416 Intermediate Similarity NPC202824
0.7416 Intermediate Similarity NPC477361
0.7412 Intermediate Similarity NPC476678
0.7412 Intermediate Similarity NPC179006
0.7412 Intermediate Similarity NPC474853
0.7412 Intermediate Similarity NPC78089
0.7412 Intermediate Similarity NPC33570
0.7412 Intermediate Similarity NPC300985
0.7412 Intermediate Similarity NPC21471
0.7412 Intermediate Similarity NPC161957
0.7407 Intermediate Similarity NPC23778
0.7407 Intermediate Similarity NPC253749
0.7407 Intermediate Similarity NPC299235
0.7407 Intermediate Similarity NPC128276
0.7407 Intermediate Similarity NPC471220
0.7407 Intermediate Similarity NPC469996
0.7403 Intermediate Similarity NPC280256
0.7391 Intermediate Similarity NPC471582
0.7391 Intermediate Similarity NPC477355
0.7381 Intermediate Similarity NPC215294
0.7381 Intermediate Similarity NPC470047
0.7381 Intermediate Similarity NPC470046
0.7381 Intermediate Similarity NPC53867
0.7375 Intermediate Similarity NPC472967
0.7375 Intermediate Similarity NPC266159
0.7356 Intermediate Similarity NPC476707
0.7356 Intermediate Similarity NPC477710
0.7356 Intermediate Similarity NPC476706
0.7349 Intermediate Similarity NPC141810
0.7342 Intermediate Similarity NPC469641
0.7342 Intermediate Similarity NPC469643
0.7333 Intermediate Similarity NPC174051
0.7333 Intermediate Similarity NPC67831
0.7326 Intermediate Similarity NPC470051
0.7326 Intermediate Similarity NPC474732
0.7326 Intermediate Similarity NPC70555
0.7326 Intermediate Similarity NPC474778
0.7326 Intermediate Similarity NPC474733
0.7326 Intermediate Similarity NPC104961
0.7326 Intermediate Similarity NPC107787
0.7326 Intermediate Similarity NPC145879
0.7326 Intermediate Similarity NPC470050
0.7326 Intermediate Similarity NPC70422
0.7326 Intermediate Similarity NPC31564
0.7324 Intermediate Similarity NPC30215
0.7317 Intermediate Similarity NPC80999
0.7317 Intermediate Similarity NPC136033
0.7317 Intermediate Similarity NPC471740
0.7312 Intermediate Similarity NPC112167
0.7303 Intermediate Similarity NPC221282
0.7303 Intermediate Similarity NPC218301
0.7303 Intermediate Similarity NPC290651
0.7294 Intermediate Similarity NPC227064
0.7294 Intermediate Similarity NPC58841
0.7294 Intermediate Similarity NPC161423
0.7294 Intermediate Similarity NPC329043
0.7294 Intermediate Similarity NPC165287
0.7294 Intermediate Similarity NPC100391
0.7294 Intermediate Similarity NPC115786
0.7294 Intermediate Similarity NPC321187
0.7294 Intermediate Similarity NPC90446
0.7294 Intermediate Similarity NPC237712
0.7284 Intermediate Similarity NPC211279
0.7284 Intermediate Similarity NPC197659
0.7284 Intermediate Similarity NPC57744
0.7284 Intermediate Similarity NPC122264
0.7284 Intermediate Similarity NPC472300
0.7284 Intermediate Similarity NPC476264
0.7284 Intermediate Similarity NPC476325
0.7273 Intermediate Similarity NPC4986
0.7273 Intermediate Similarity NPC61702
0.7273 Intermediate Similarity NPC119416
0.7273 Intermediate Similarity NPC162867
0.7262 Intermediate Similarity NPC35556
0.7262 Intermediate Similarity NPC193347
0.7262 Intermediate Similarity NPC142683
0.726 Intermediate Similarity NPC475795
0.725 Intermediate Similarity NPC113639
0.7241 Intermediate Similarity NPC469322
0.7241 Intermediate Similarity NPC58063
0.7241 Intermediate Similarity NPC38885
0.7241 Intermediate Similarity NPC471739
0.7241 Intermediate Similarity NPC475740
0.7241 Intermediate Similarity NPC136548
0.7234 Intermediate Similarity NPC477356
0.7229 Intermediate Similarity NPC472948
0.7229 Intermediate Similarity NPC45495
0.7222 Intermediate Similarity NPC125180
0.7215 Intermediate Similarity NPC472956
0.7215 Intermediate Similarity NPC300940
0.7209 Intermediate Similarity NPC474547
0.7209 Intermediate Similarity NPC470223
0.7209 Intermediate Similarity NPC470574
0.7209 Intermediate Similarity NPC202868
0.7209 Intermediate Similarity NPC189311
0.7209 Intermediate Similarity NPC470048
0.7209 Intermediate Similarity NPC469948
0.7195 Intermediate Similarity NPC474341
0.7195 Intermediate Similarity NPC478247
0.7195 Intermediate Similarity NPC321180
0.7195 Intermediate Similarity NPC474005
0.7195 Intermediate Similarity NPC475994
0.7195 Intermediate Similarity NPC478246
0.7195 Intermediate Similarity NPC35574
0.7191 Intermediate Similarity NPC253144

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC469678 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
0.7529 Intermediate Similarity NPD7334 Approved
0.7529 Intermediate Similarity NPD5330 Approved
0.7529 Intermediate Similarity NPD6409 Approved
0.7529 Intermediate Similarity NPD7521 Approved
0.7529 Intermediate Similarity NPD6684 Approved
0.7529 Intermediate Similarity NPD7146 Approved
0.7356 Intermediate Similarity NPD6903 Approved
0.7356 Intermediate Similarity NPD6672 Approved
0.7356 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD5737 Approved
0.7326 Intermediate Similarity NPD5279 Phase 3
0.7294 Intermediate Similarity NPD3665 Phase 1
0.7294 Intermediate Similarity NPD3133 Approved
0.7294 Intermediate Similarity NPD3666 Approved
0.7273 Intermediate Similarity NPD1695 Approved
0.7262 Intermediate Similarity NPD4223 Phase 3
0.7262 Intermediate Similarity NPD4221 Approved
0.7159 Intermediate Similarity NPD5208 Approved
0.7143 Intermediate Similarity NPD5282 Discontinued
0.7126 Intermediate Similarity NPD3618 Phase 1
0.7093 Intermediate Similarity NPD4197 Approved
0.7093 Intermediate Similarity NPD4786 Approved
0.7079 Intermediate Similarity NPD6673 Approved
0.7079 Intermediate Similarity NPD4753 Phase 2
0.7079 Intermediate Similarity NPD6080 Approved
0.7079 Intermediate Similarity NPD5328 Approved
0.7079 Intermediate Similarity NPD6904 Approved
0.7065 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7065 Intermediate Similarity NPD5695 Phase 3
0.7059 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5209 Approved
0.7059 Intermediate Similarity NPD3667 Approved
0.7033 Intermediate Similarity NPD4202 Approved
0.7011 Intermediate Similarity NPD5329 Approved
0.7011 Intermediate Similarity NPD1694 Approved
0.7 Intermediate Similarity NPD5692 Phase 3
0.7 Intermediate Similarity NPD5207 Approved
0.6988 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6974 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6962 Remote Similarity NPD4747 Approved
0.6957 Remote Similarity NPD6001 Approved
0.6939 Remote Similarity NPD6008 Approved
0.6932 Remote Similarity NPD4694 Approved
0.6932 Remote Similarity NPD4138 Approved
0.6932 Remote Similarity NPD4689 Approved
0.6932 Remote Similarity NPD4693 Phase 3
0.6932 Remote Similarity NPD6098 Approved
0.6932 Remote Similarity NPD4690 Approved
0.6932 Remote Similarity NPD5280 Approved
0.6932 Remote Similarity NPD4688 Approved
0.6932 Remote Similarity NPD5690 Phase 2
0.6932 Remote Similarity NPD5205 Approved
0.6923 Remote Similarity NPD5693 Phase 1
0.6923 Remote Similarity NPD5694 Approved
0.6923 Remote Similarity NPD6050 Approved
0.6923 Remote Similarity NPD6079 Approved
0.6915 Remote Similarity NPD6083 Phase 2
0.6915 Remote Similarity NPD6084 Phase 2
0.6897 Remote Similarity NPD3668 Phase 3
0.6883 Remote Similarity NPD7331 Phase 2
0.6875 Remote Similarity NPD5276 Approved
0.6848 Remote Similarity NPD6399 Phase 3
0.6842 Remote Similarity NPD5696 Approved
0.6835 Remote Similarity NPD4137 Phase 3
0.6782 Remote Similarity NPD5362 Discontinued
0.6778 Remote Similarity NPD4518 Approved
0.6753 Remote Similarity NPD7341 Phase 2
0.675 Remote Similarity NPD4691 Approved
0.6744 Remote Similarity NPD5369 Approved
0.6742 Remote Similarity NPD4519 Discontinued
0.6742 Remote Similarity NPD4623 Approved
0.6737 Remote Similarity NPD4755 Approved
0.6707 Remote Similarity NPD4687 Approved
0.6707 Remote Similarity NPD5733 Approved
0.6702 Remote Similarity NPD4629 Approved
0.6702 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6702 Remote Similarity NPD5210 Approved
0.6667 Remote Similarity NPD3573 Approved
0.6667 Remote Similarity NPD6435 Approved
0.6632 Remote Similarity NPD5221 Approved
0.6632 Remote Similarity NPD5222 Approved
0.6632 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6632 Remote Similarity NPD4697 Phase 3
0.663 Remote Similarity NPD4096 Approved
0.663 Remote Similarity NPD5785 Approved
0.6629 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6628 Remote Similarity NPD4695 Discontinued
0.66 Remote Similarity NPD6402 Approved
0.66 Remote Similarity NPD7128 Approved
0.66 Remote Similarity NPD6675 Approved
0.66 Remote Similarity NPD5739 Approved
0.6598 Remote Similarity NPD5285 Approved
0.6598 Remote Similarity NPD4700 Approved
0.6598 Remote Similarity NPD5286 Approved
0.6598 Remote Similarity NPD4696 Approved
0.6596 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6596 Remote Similarity NPD7900 Approved
0.6596 Remote Similarity NPD7748 Approved
0.6591 Remote Similarity NPD7154 Phase 3
0.6591 Remote Similarity NPD4788 Approved
0.6588 Remote Similarity NPD3617 Approved
0.6562 Remote Similarity NPD5959 Approved
0.6562 Remote Similarity NPD5173 Approved
0.6559 Remote Similarity NPD5284 Approved
0.6559 Remote Similarity NPD5281 Approved
0.6556 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6535 Remote Similarity NPD5697 Approved
0.6535 Remote Similarity NPD5701 Approved
0.6531 Remote Similarity NPD5223 Approved
0.6526 Remote Similarity NPD5654 Approved
0.6512 Remote Similarity NPD4195 Approved
0.6506 Remote Similarity NPD6924 Approved
0.6506 Remote Similarity NPD4058 Approved
0.6506 Remote Similarity NPD6926 Approved
0.6505 Remote Similarity NPD6371 Approved
0.6489 Remote Similarity NPD5133 Approved
0.6471 Remote Similarity NPD6899 Approved
0.6471 Remote Similarity NPD7320 Approved
0.6471 Remote Similarity NPD6881 Approved
0.6471 Remote Similarity NPD6011 Approved
0.6465 Remote Similarity NPD4633 Approved
0.6465 Remote Similarity NPD5225 Approved
0.6465 Remote Similarity NPD5224 Approved
0.6465 Remote Similarity NPD5226 Approved
0.6465 Remote Similarity NPD5211 Phase 2
0.6444 Remote Similarity NPD5363 Approved
0.6437 Remote Similarity NPD5368 Approved
0.6429 Remote Similarity NPD8039 Approved
0.6408 Remote Similarity NPD6373 Approved
0.6408 Remote Similarity NPD6012 Approved
0.6408 Remote Similarity NPD6014 Approved
0.6408 Remote Similarity NPD6013 Approved
0.6408 Remote Similarity NPD6372 Approved
0.64 Remote Similarity NPD5174 Approved
0.64 Remote Similarity NPD4754 Approved
0.64 Remote Similarity NPD5175 Approved
0.6392 Remote Similarity NPD7902 Approved
0.6383 Remote Similarity NPD7515 Phase 2
0.6364 Remote Similarity NPD4139 Approved
0.6364 Remote Similarity NPD4692 Approved
0.6353 Remote Similarity NPD6933 Approved
0.6346 Remote Similarity NPD7290 Approved
0.6346 Remote Similarity NPD7102 Approved
0.6346 Remote Similarity NPD6883 Approved
0.6337 Remote Similarity NPD5141 Approved
0.6296 Remote Similarity NPD7115 Discovery
0.6296 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6292 Remote Similarity NPD4270 Approved
0.6292 Remote Similarity NPD4269 Approved
0.6292 Remote Similarity NPD4800 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6649 Approved
0.6286 Remote Similarity NPD6847 Approved
0.6286 Remote Similarity NPD6869 Approved
0.6286 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6286 Remote Similarity NPD6650 Approved
0.6286 Remote Similarity NPD8130 Phase 1
0.6286 Remote Similarity NPD6617 Approved
0.6277 Remote Similarity NPD6698 Approved
0.6277 Remote Similarity NPD46 Approved
0.6275 Remote Similarity NPD4768 Approved
0.6275 Remote Similarity NPD4767 Approved
0.6264 Remote Similarity NPD1696 Phase 3
0.625 Remote Similarity NPD7509 Discontinued
0.625 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6238 Remote Similarity NPD6052 Approved
0.6226 Remote Similarity NPD8297 Approved
0.6226 Remote Similarity NPD6882 Approved
0.6222 Remote Similarity NPD6695 Phase 3
0.6214 Remote Similarity NPD6412 Phase 2
0.6211 Remote Similarity NPD6411 Approved
0.6196 Remote Similarity NPD5786 Approved
0.6184 Remote Similarity NPD287 Approved
0.618 Remote Similarity NPD857 Phase 3
0.617 Remote Similarity NPD6051 Approved
0.6162 Remote Similarity NPD7638 Approved
0.6154 Remote Similarity NPD5128 Approved
0.6154 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4730 Approved
0.6154 Remote Similarity NPD4729 Approved
0.61 Remote Similarity NPD7640 Approved
0.61 Remote Similarity NPD7639 Approved
0.6087 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6087 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6067 Remote Similarity NPD6930 Phase 2
0.6067 Remote Similarity NPD4819 Approved
0.6067 Remote Similarity NPD7525 Registered
0.6067 Remote Similarity NPD4820 Approved
0.6067 Remote Similarity NPD6931 Approved
0.6067 Remote Similarity NPD4252 Approved
0.6067 Remote Similarity NPD4822 Approved
0.6067 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6067 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6067 Remote Similarity NPD4821 Approved
0.6058 Remote Similarity NPD6614 Approved
0.6058 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6055 Remote Similarity NPD6274 Approved
0.6047 Remote Similarity NPD6942 Approved
0.6047 Remote Similarity NPD7339 Approved
0.6044 Remote Similarity NPD5332 Approved
0.6044 Remote Similarity NPD5331 Approved

Structure

External Identifiers

PubChem CID   46833411
ChEMBL   CHEMBL1098222
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  2.087
MLogP:  3.44
XLogP:  3.563
# Rotatable Bonds:  6
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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