Natural Product: NPC167049

Natural Product ID:  NPC167049
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H30O2
Standard InCHIKey:  DAAUGGLPOJTNDZ-SBXWZWAOSA-N
Standard InCHI:  InChI=1S/C20H30O2/c1-13(2)18-15-9-11-20(5)17(22-20)7-6-14(3)8-10-19(15,4)12-16(18)21/h8,15,17H,6-7,9-12H2,1-5H3/b14-8+/t15-,17-,19-,20-/m0/s1
Canonical SMILES:  C/C/1=CC[C@@]2(C)CC(=O)C(=C(C)C)[C@@H]2CC[C@]2([C@H](CC1)O2)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
NPO24413 Eunicea tourneforti Species Plexauridae Eukaryota Caribbean PMID[7595587]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT312 Organism Saccharomyces cerevisiae Saccharomyces cerevisiae IC12 = 1500 ug/ml 21106458

  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 NPC167049 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 NPC469691
0.9571 High Similarity NPC469678
0.9571 High Similarity NPC475771
0.9571 High Similarity NPC469669
0.9565 High Similarity NPC92909
0.9565 High Similarity NPC107783
0.9167 High Similarity NPC226242
0.8831 High Similarity NPC475622
0.8831 High Similarity NPC108045
0.8667 High Similarity NPC474056
0.8592 High Similarity NPC477448
0.8592 High Similarity NPC477449
0.8553 High Similarity NPC469608
0.85 High Similarity NPC261253
0.85 High Similarity NPC474045
0.8481 Intermediate Similarity NPC475796
0.8312 Intermediate Similarity NPC469690
0.8272 Intermediate Similarity NPC469676
0.8228 Intermediate Similarity NPC145963
0.8194 Intermediate Similarity NPC469688
0.8182 Intermediate Similarity NPC207186
0.8158 Intermediate Similarity NPC469646
0.8143 Intermediate Similarity NPC287744
0.8143 Intermediate Similarity NPC140233
0.8088 Intermediate Similarity NPC259261
0.8082 Intermediate Similarity NPC261398
0.8077 Intermediate Similarity NPC476177
0.8077 Intermediate Similarity NPC469620
0.7941 Intermediate Similarity NPC94991
0.7941 Intermediate Similarity NPC266295
0.7927 Intermediate Similarity NPC96621
0.7927 Intermediate Similarity NPC323765
0.7922 Intermediate Similarity NPC215481
0.7875 Intermediate Similarity NPC136150
0.7857 Intermediate Similarity NPC228574
0.7857 Intermediate Similarity NPC294304
0.7848 Intermediate Similarity NPC229204
0.7838 Intermediate Similarity NPC469677
0.7831 Intermediate Similarity NPC195640
0.7821 Intermediate Similarity NPC15975
0.7821 Intermediate Similarity NPC195785
0.7792 Intermediate Similarity NPC474011
0.7792 Intermediate Similarity NPC251435
0.7792 Intermediate Similarity NPC475861
0.7763 Intermediate Similarity NPC470237
0.775 Intermediate Similarity NPC304795
0.7733 Intermediate Similarity NPC475310
0.7714 Intermediate Similarity NPC25853
0.7703 Intermediate Similarity NPC469679
0.7692 Intermediate Similarity NPC271070
0.7683 Intermediate Similarity NPC193198
0.7674 Intermediate Similarity NPC49946
0.7674 Intermediate Similarity NPC306168
0.7662 Intermediate Similarity NPC469643
0.7662 Intermediate Similarity NPC469641
0.7654 Intermediate Similarity NPC39411
0.7654 Intermediate Similarity NPC475665
0.7654 Intermediate Similarity NPC255580
0.764 Intermediate Similarity NPC477354
0.7639 Intermediate Similarity NPC473902
0.7625 Intermediate Similarity NPC617
0.7625 Intermediate Similarity NPC181195
0.7625 Intermediate Similarity NPC261125
0.7625 Intermediate Similarity NPC80999
0.76 Intermediate Similarity NPC144511
0.76 Intermediate Similarity NPC22301
0.76 Intermediate Similarity NPC296522
0.7595 Intermediate Similarity NPC276769
0.7595 Intermediate Similarity NPC186109
0.759 Intermediate Similarity NPC321187
0.759 Intermediate Similarity NPC85774
0.759 Intermediate Similarity NPC227064
0.759 Intermediate Similarity NPC214043
0.759 Intermediate Similarity NPC58841
0.759 Intermediate Similarity NPC329043
0.759 Intermediate Similarity NPC161423
0.759 Intermediate Similarity NPC473246
0.7586 Intermediate Similarity NPC262870
0.7564 Intermediate Similarity NPC216791
0.7564 Intermediate Similarity NPC474419
0.7564 Intermediate Similarity NPC77501
0.7564 Intermediate Similarity NPC114236
0.7558 Intermediate Similarity NPC170775
0.7556 Intermediate Similarity NPC151488
0.7536 Intermediate Similarity NPC230823
0.7536 Intermediate Similarity NPC49575
0.7536 Intermediate Similarity NPC267626
0.7536 Intermediate Similarity NPC55004
0.7534 Intermediate Similarity NPC474329
0.7534 Intermediate Similarity NPC474304
0.7531 Intermediate Similarity NPC45495
0.7531 Intermediate Similarity NPC47747
0.75 Intermediate Similarity NPC471220
0.75 Intermediate Similarity NPC202824
0.75 Intermediate Similarity NPC470574
0.75 Intermediate Similarity NPC37816
0.75 Intermediate Similarity NPC469996
0.75 Intermediate Similarity NPC300985
0.75 Intermediate Similarity NPC128276
0.75 Intermediate Similarity NPC477361
0.75 Intermediate Similarity NPC476678
0.7473 Intermediate Similarity NPC477355
0.7471 Intermediate Similarity NPC474842
0.7471 Intermediate Similarity NPC475965
0.747 Intermediate Similarity NPC470047
0.747 Intermediate Similarity NPC53867
0.747 Intermediate Similarity NPC470046
0.7468 Intermediate Similarity NPC266159
0.7468 Intermediate Similarity NPC472967
0.7442 Intermediate Similarity NPC476707
0.7442 Intermediate Similarity NPC476706
0.7439 Intermediate Similarity NPC141810
0.7429 Intermediate Similarity NPC30215
0.7416 Intermediate Similarity NPC174051
0.7416 Intermediate Similarity NPC67831
0.7412 Intermediate Similarity NPC474733
0.7412 Intermediate Similarity NPC327115
0.7412 Intermediate Similarity NPC470051
0.7412 Intermediate Similarity NPC145879
0.7412 Intermediate Similarity NPC470050
0.7412 Intermediate Similarity NPC474732
0.7412 Intermediate Similarity NPC474778
0.7412 Intermediate Similarity NPC31564
0.7407 Intermediate Similarity NPC471740
0.7407 Intermediate Similarity NPC182550
0.7407 Intermediate Similarity NPC136033
0.7407 Intermediate Similarity NPC7232
0.7403 Intermediate Similarity NPC144627
0.7397 Intermediate Similarity NPC212210
0.7391 Intermediate Similarity NPC112167
0.7386 Intermediate Similarity NPC221282
0.7386 Intermediate Similarity NPC190442
0.7386 Intermediate Similarity NPC218301
0.7381 Intermediate Similarity NPC100391
0.7381 Intermediate Similarity NPC238197
0.7381 Intermediate Similarity NPC90446
0.7381 Intermediate Similarity NPC475100
0.7381 Intermediate Similarity NPC237712
0.7375 Intermediate Similarity NPC476325
0.7375 Intermediate Similarity NPC476264
0.7375 Intermediate Similarity NPC211279
0.7375 Intermediate Similarity NPC197659
0.7375 Intermediate Similarity NPC472300
0.7375 Intermediate Similarity NPC57744
0.7368 Intermediate Similarity NPC61702
0.7368 Intermediate Similarity NPC162867
0.7361 Intermediate Similarity NPC97322
0.7361 Intermediate Similarity NPC475795
0.7349 Intermediate Similarity NPC20262
0.7349 Intermediate Similarity NPC256750
0.7349 Intermediate Similarity NPC328351
0.7349 Intermediate Similarity NPC193347
0.7349 Intermediate Similarity NPC35556
0.7349 Intermediate Similarity NPC151519
0.7342 Intermediate Similarity NPC113639
0.7326 Intermediate Similarity NPC471739
0.7326 Intermediate Similarity NPC38885
0.7326 Intermediate Similarity NPC58063
0.7326 Intermediate Similarity NPC136548
0.7326 Intermediate Similarity NPC287079
0.7326 Intermediate Similarity NPC475740
0.7326 Intermediate Similarity NPC141292
0.7317 Intermediate Similarity NPC69271
0.7317 Intermediate Similarity NPC472948
0.7317 Intermediate Similarity NPC74673
0.7317 Intermediate Similarity NPC302426
0.7312 Intermediate Similarity NPC477356
0.7308 Intermediate Similarity NPC300940
0.7308 Intermediate Similarity NPC472956
0.7303 Intermediate Similarity NPC125180
0.7303 Intermediate Similarity NPC229976
0.7294 Intermediate Similarity NPC474547
0.7294 Intermediate Similarity NPC21471
0.7294 Intermediate Similarity NPC189311
0.7294 Intermediate Similarity NPC78089
0.7294 Intermediate Similarity NPC33570
0.7294 Intermediate Similarity NPC470048
0.7294 Intermediate Similarity NPC469948
0.7294 Intermediate Similarity NPC161957
0.7294 Intermediate Similarity NPC202868
0.7294 Intermediate Similarity NPC470223
0.7284 Intermediate Similarity NPC475994
0.7284 Intermediate Similarity NPC478247
0.7284 Intermediate Similarity NPC478246
0.7284 Intermediate Similarity NPC321180
0.7284 Intermediate Similarity NPC35574
0.7284 Intermediate Similarity NPC253749
0.7284 Intermediate Similarity NPC299235
0.7284 Intermediate Similarity NPC474341
0.7283 Intermediate Similarity NPC471582
0.7273 Intermediate Similarity NPC472955
0.7273 Intermediate Similarity NPC280256
0.7262 Intermediate Similarity NPC476082
0.7262 Intermediate Similarity NPC272814
0.7262 Intermediate Similarity NPC278648
0.7262 Intermediate Similarity NPC475989
0.7262 Intermediate Similarity NPC473629
0.7262 Intermediate Similarity NPC62214
0.7262 Intermediate Similarity NPC215294
0.726 Intermediate Similarity NPC32285

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC167049 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
0.7831 Intermediate Similarity NPD7334 Approved
0.7831 Intermediate Similarity NPD5330 Approved
0.7831 Intermediate Similarity NPD6684 Approved
0.7831 Intermediate Similarity NPD7521 Approved
0.7831 Intermediate Similarity NPD6409 Approved
0.7831 Intermediate Similarity NPD7146 Approved
0.7647 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD6903 Approved
0.759 Intermediate Similarity NPD3133 Approved
0.759 Intermediate Similarity NPD3666 Approved
0.759 Intermediate Similarity NPD3665 Phase 1
0.7442 Intermediate Similarity NPD5737 Approved
0.7442 Intermediate Similarity NPD6672 Approved
0.7412 Intermediate Similarity NPD5279 Phase 3
0.7412 Intermediate Similarity NPD3618 Phase 1
0.7349 Intermediate Similarity NPD4221 Approved
0.7349 Intermediate Similarity NPD4223 Phase 3
0.7349 Intermediate Similarity NPD3667 Approved
0.7241 Intermediate Similarity NPD5208 Approved
0.7176 Intermediate Similarity NPD3668 Phase 3
0.7176 Intermediate Similarity NPD4786 Approved
0.7176 Intermediate Similarity NPD4197 Approved
0.7159 Intermediate Similarity NPD4753 Phase 2
0.7159 Intermediate Similarity NPD5328 Approved
0.7159 Intermediate Similarity NPD6080 Approved
0.7159 Intermediate Similarity NPD6904 Approved
0.7159 Intermediate Similarity NPD6673 Approved
0.7143 Intermediate Similarity NPD4137 Phase 3
0.7143 Intermediate Similarity NPD5695 Phase 3
0.7143 Intermediate Similarity NPD6356 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD4752 Clinical (unspecified phase)
0.7111 Intermediate Similarity NPD4202 Approved
0.7093 Intermediate Similarity NPD5329 Approved
0.7093 Intermediate Similarity NPD1694 Approved
0.7079 Intermediate Similarity NPD5207 Approved
0.7079 Intermediate Similarity NPD5692 Phase 3
0.7073 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD2685 Clinical (unspecified phase)
0.7051 Intermediate Similarity NPD4747 Approved
0.7051 Intermediate Similarity NPD4691 Approved
0.7033 Intermediate Similarity NPD5282 Discontinued
0.7033 Intermediate Similarity NPD6001 Approved
0.7024 Intermediate Similarity NPD5369 Approved
0.7011 Intermediate Similarity NPD4694 Approved
0.7011 Intermediate Similarity NPD4688 Approved
0.7011 Intermediate Similarity NPD4693 Phase 3
0.7011 Intermediate Similarity NPD4690 Approved
0.7011 Intermediate Similarity NPD5690 Phase 2
0.7011 Intermediate Similarity NPD5205 Approved
0.7011 Intermediate Similarity NPD4689 Approved
0.7011 Intermediate Similarity NPD6098 Approved
0.7011 Intermediate Similarity NPD4138 Approved
0.7011 Intermediate Similarity NPD5280 Approved
0.701 Intermediate Similarity NPD6008 Approved
0.7 Intermediate Similarity NPD5693 Phase 1
0.7 Intermediate Similarity NPD6079 Approved
0.7 Intermediate Similarity NPD5694 Approved
0.7 Intermediate Similarity NPD6050 Approved
0.6989 Remote Similarity NPD6083 Phase 2
0.6989 Remote Similarity NPD6084 Phase 2
0.6974 Remote Similarity NPD7331 Phase 2
0.6966 Remote Similarity NPD1695 Approved
0.6962 Remote Similarity NPD5276 Approved
0.6941 Remote Similarity NPD6435 Approved
0.6941 Remote Similarity NPD5209 Approved
0.6923 Remote Similarity NPD6399 Phase 3
0.6915 Remote Similarity NPD5696 Approved
0.6889 Remote Similarity NPD5785 Approved
0.6867 Remote Similarity NPD3617 Approved
0.6854 Remote Similarity NPD4518 Approved
0.6842 Remote Similarity NPD7341 Phase 2
0.6818 Remote Similarity NPD3574 Clinical (unspecified phase)
0.6809 Remote Similarity NPD4755 Approved
0.679 Remote Similarity NPD4058 Approved
0.679 Remote Similarity NPD4687 Approved
0.679 Remote Similarity NPD5733 Approved
0.6774 Remote Similarity NPD5210 Approved
0.6774 Remote Similarity NPD4629 Approved
0.6742 Remote Similarity NPD3573 Approved
0.6706 Remote Similarity NPD5368 Approved
0.6706 Remote Similarity NPD4695 Discontinued
0.6705 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6705 Remote Similarity NPD5363 Approved
0.6703 Remote Similarity NPD4096 Approved
0.6702 Remote Similarity NPD4697 Phase 3
0.6702 Remote Similarity NPD5222 Approved
0.6702 Remote Similarity NPD5221 Approved
0.6702 Remote Similarity NPD5220 Clinical (unspecified phase)
0.6667 Remote Similarity NPD4700 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6667 Remote Similarity NPD5286 Approved
0.6667 Remote Similarity NPD7128 Approved
0.6667 Remote Similarity NPD4696 Approved
0.6667 Remote Similarity NPD5285 Approved
0.6667 Remote Similarity NPD7901 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7748 Approved
0.6667 Remote Similarity NPD5362 Discontinued
0.6667 Remote Similarity NPD5739 Approved
0.6667 Remote Similarity NPD7900 Approved
0.6667 Remote Similarity NPD6675 Approved
0.6667 Remote Similarity NPD6402 Approved
0.6632 Remote Similarity NPD5173 Approved
0.6632 Remote Similarity NPD5959 Approved
0.663 Remote Similarity NPD5284 Approved
0.663 Remote Similarity NPD5281 Approved
0.6629 Remote Similarity NPD4519 Discontinued
0.6629 Remote Similarity NPD4623 Approved
0.66 Remote Similarity NPD5697 Approved
0.66 Remote Similarity NPD5701 Approved
0.6598 Remote Similarity NPD5223 Approved
0.6596 Remote Similarity NPD5654 Approved
0.6596 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6588 Remote Similarity NPD4195 Approved
0.6585 Remote Similarity NPD6924 Approved
0.6585 Remote Similarity NPD6926 Approved
0.6582 Remote Similarity NPD3621 Clinical (unspecified phase)
0.6559 Remote Similarity NPD5133 Approved
0.6552 Remote Similarity NPD4269 Approved
0.6552 Remote Similarity NPD4270 Approved
0.6535 Remote Similarity NPD6881 Approved
0.6535 Remote Similarity NPD6899 Approved
0.6535 Remote Similarity NPD6011 Approved
0.6535 Remote Similarity NPD7320 Approved
0.6531 Remote Similarity NPD5224 Approved
0.6531 Remote Similarity NPD5226 Approved
0.6531 Remote Similarity NPD5225 Approved
0.6531 Remote Similarity NPD4633 Approved
0.6531 Remote Similarity NPD5211 Phase 2
0.6506 Remote Similarity NPD8039 Approved
0.6477 Remote Similarity NPD7154 Phase 3
0.6471 Remote Similarity NPD6013 Approved
0.6471 Remote Similarity NPD6372 Approved
0.6471 Remote Similarity NPD6373 Approved
0.6471 Remote Similarity NPD6014 Approved
0.6471 Remote Similarity NPD6012 Approved
0.6465 Remote Similarity NPD4754 Approved
0.6465 Remote Similarity NPD5174 Approved
0.6465 Remote Similarity NPD5175 Approved
0.6458 Remote Similarity NPD7902 Approved
0.6452 Remote Similarity NPD7515 Phase 2
0.6444 Remote Similarity NPD5786 Approved
0.6437 Remote Similarity NPD4139 Approved
0.6437 Remote Similarity NPD4692 Approved
0.6436 Remote Similarity NPD6412 Phase 2
0.6429 Remote Similarity NPD6933 Approved
0.6408 Remote Similarity NPD7102 Approved
0.6408 Remote Similarity NPD6883 Approved
0.6408 Remote Similarity NPD7290 Approved
0.64 Remote Similarity NPD5141 Approved
0.6392 Remote Similarity NPD7638 Approved
0.6355 Remote Similarity NPD7115 Discovery
0.6346 Remote Similarity NPD6847 Approved
0.6346 Remote Similarity NPD6869 Approved
0.6346 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6346 Remote Similarity NPD8130 Phase 1
0.6346 Remote Similarity NPD6649 Approved
0.6346 Remote Similarity NPD6650 Approved
0.6346 Remote Similarity NPD6617 Approved
0.6344 Remote Similarity NPD6698 Approved
0.6344 Remote Similarity NPD46 Approved
0.6337 Remote Similarity NPD4768 Approved
0.6337 Remote Similarity NPD4767 Approved
0.6329 Remote Similarity NPD6108 Clinical (unspecified phase)
0.6327 Remote Similarity NPD7640 Approved
0.6327 Remote Similarity NPD7639 Approved
0.6322 Remote Similarity NPD4820 Approved
0.6322 Remote Similarity NPD4819 Approved
0.6322 Remote Similarity NPD4821 Approved
0.6322 Remote Similarity NPD5790 Clinical (unspecified phase)
0.6322 Remote Similarity NPD4252 Approved
0.6322 Remote Similarity NPD4822 Approved
0.63 Remote Similarity NPD6052 Approved
0.6292 Remote Similarity NPD6695 Phase 3
0.6286 Remote Similarity NPD6882 Approved
0.6286 Remote Similarity NPD8297 Approved
0.6277 Remote Similarity NPD6411 Approved
0.6267 Remote Similarity NPD287 Approved
0.625 Remote Similarity NPD6371 Approved
0.6237 Remote Similarity NPD6051 Approved
0.6235 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6222 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6214 Remote Similarity NPD4730 Approved
0.6214 Remote Similarity NPD5128 Approved
0.6214 Remote Similarity NPD4729 Approved
0.6154 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6154 Remote Similarity NPD1696 Phase 3
0.6145 Remote Similarity NPD5777 Approved
0.6136 Remote Similarity NPD8259 Clinical (unspecified phase)
0.6136 Remote Similarity NPD6931 Approved
0.6136 Remote Similarity NPD6930 Phase 2
0.6136 Remote Similarity NPD7525 Registered
0.6118 Remote Similarity NPD6942 Approved
0.6118 Remote Similarity NPD7339 Approved
0.6117 Remote Similarity NPD6614 Approved
0.6111 Remote Similarity NPD6274 Approved
0.6111 Remote Similarity NPD3527 Clinical (unspecified phase)
0.6111 Remote Similarity NPD5332 Approved
0.6111 Remote Similarity NPD5331 Approved
0.6105 Remote Similarity NPD8034 Phase 2

Structure

External Identifiers

PubChem CID   21582039
ChEMBL   CHEMBL516013
ZINC  

Physicochemical Properties

Molecular Weight:  302.22
ALogP:  2.744
MLogP:  3.44
XLogP:  3.965
# 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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