Natural Product: NPC301769

Natural Product ID:  NPC301769
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C20H32O2
Standard InCHIKey:  NXIQEZUWFNXIFV-YRYMLKIGSA-N
Standard InCHI:  InChI=1S/C20H32O2/c1-12(2)14-8-9-19(4)10-16-18(13(3)6-7-15(14)19)17(21)11-20(16,5)22/h12-15,22H,6-11H2,1-5H3/t13-,14+,15-,19+,20+/m0/s1
Canonical SMILES:  CC([C@H]1CC[C@]2([C@H]1CC[C@H](C)C1=C(C2)[C@](C)(O)CC1=O)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
NPO30691 Porella chilensis Species Porellaceae Eukaryota Argentine PMID[21384863]
NPO30691 Porella chilensis Species Porellaceae Eukaryota PMID[21384863]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa Activity = 93 % 21384863

  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 NPC301769 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
0.973 High Similarity NPC32758
0.9351 High Similarity NPC20262
0.9351 High Similarity NPC256750
0.8571 High Similarity NPC182848
0.8312 Intermediate Similarity NPC7382
0.814 Intermediate Similarity NPC170775
0.8077 Intermediate Similarity NPC206875
0.8068 Intermediate Similarity NPC37816
0.7975 Intermediate Similarity NPC89374
0.7975 Intermediate Similarity NPC251435
0.7975 Intermediate Similarity NPC77501
0.7931 Intermediate Similarity NPC41217
0.7841 Intermediate Similarity NPC2946
0.7816 Intermediate Similarity NPC58532
0.7816 Intermediate Similarity NPC472677
0.7805 Intermediate Similarity NPC472013
0.7805 Intermediate Similarity NPC476624
0.7766 Intermediate Similarity NPC25639
0.775 Intermediate Similarity NPC201263
0.7727 Intermediate Similarity NPC477215
0.7727 Intermediate Similarity NPC476388
0.7711 Intermediate Similarity NPC138492
0.7711 Intermediate Similarity NPC233352
0.7711 Intermediate Similarity NPC279667
0.7711 Intermediate Similarity NPC74445
0.7711 Intermediate Similarity NPC824
0.7711 Intermediate Similarity NPC287817
0.7683 Intermediate Similarity NPC476627
0.7674 Intermediate Similarity NPC179006
0.7674 Intermediate Similarity NPC474853
0.7654 Intermediate Similarity NPC25908
0.7654 Intermediate Similarity NPC115719
0.7654 Intermediate Similarity NPC141346
0.7654 Intermediate Similarity NPC142759
0.7654 Intermediate Similarity NPC473437
0.7654 Intermediate Similarity NPC124289
0.7647 Intermediate Similarity NPC65350
0.7595 Intermediate Similarity NPC144627
0.7561 Intermediate Similarity NPC86917
0.7556 Intermediate Similarity NPC144629
0.7529 Intermediate Similarity NPC477269
0.7529 Intermediate Similarity NPC477271
0.7529 Intermediate Similarity NPC129080
0.7529 Intermediate Similarity NPC469325
0.7529 Intermediate Similarity NPC477270
0.75 Intermediate Similarity NPC45495
0.75 Intermediate Similarity NPC164218
0.7474 Intermediate Similarity NPC304738
0.7474 Intermediate Similarity NPC195192
0.7471 Intermediate Similarity NPC245434
0.7471 Intermediate Similarity NPC476628
0.7444 Intermediate Similarity NPC306168
0.7444 Intermediate Similarity NPC49946
0.7439 Intermediate Similarity NPC469646
0.7416 Intermediate Similarity NPC474854
0.7416 Intermediate Similarity NPC477710
0.7412 Intermediate Similarity NPC171665
0.7386 Intermediate Similarity NPC472869
0.7386 Intermediate Similarity NPC476043
0.7381 Intermediate Similarity NPC471890
0.7381 Intermediate Similarity NPC66677
0.7381 Intermediate Similarity NPC7232
0.7381 Intermediate Similarity NPC84185
0.7375 Intermediate Similarity NPC469737
0.7326 Intermediate Similarity NPC193347
0.7326 Intermediate Similarity NPC133844
0.7317 Intermediate Similarity NPC474011
0.7308 Intermediate Similarity NPC476626
0.7308 Intermediate Similarity NPC278895
0.7303 Intermediate Similarity NPC136948
0.7284 Intermediate Similarity NPC300940
0.7273 Intermediate Similarity NPC61473
0.7262 Intermediate Similarity NPC471409
0.7262 Intermediate Similarity NPC275494
0.7253 Intermediate Similarity NPC477711
0.725 Intermediate Similarity NPC280256
0.7241 Intermediate Similarity NPC472492
0.7241 Intermediate Similarity NPC477373
0.7229 Intermediate Similarity NPC215481
0.7222 Intermediate Similarity NPC117122
0.7222 Intermediate Similarity NPC472870
0.7209 Intermediate Similarity NPC477372
0.7191 Intermediate Similarity NPC472488
0.7191 Intermediate Similarity NPC472479
0.7191 Intermediate Similarity NPC194417
0.7176 Intermediate Similarity NPC215843
0.7176 Intermediate Similarity NPC258231
0.7174 Intermediate Similarity NPC475806
0.716 Intermediate Similarity NPC29328
0.7159 Intermediate Similarity NPC472864
0.7159 Intermediate Similarity NPC472865
0.7159 Intermediate Similarity NPC164577
0.7159 Intermediate Similarity NPC144258
0.7159 Intermediate Similarity NPC19849
0.7159 Intermediate Similarity NPC472480
0.7158 Intermediate Similarity NPC477949
0.7143 Intermediate Similarity NPC214387
0.7143 Intermediate Similarity NPC2983
0.7143 Intermediate Similarity NPC472971
0.7143 Intermediate Similarity NPC137547
0.7143 Intermediate Similarity NPC309603
0.7143 Intermediate Similarity NPC123912
0.7143 Intermediate Similarity NPC232747
0.7143 Intermediate Similarity NPC473999
0.7143 Intermediate Similarity NPC472014
0.7143 Intermediate Similarity NPC472970
0.7143 Intermediate Similarity NPC262043
0.7128 Intermediate Similarity NPC476487
0.7128 Intermediate Similarity NPC469873
0.7128 Intermediate Similarity NPC476488
0.7125 Intermediate Similarity NPC469677
0.7111 Intermediate Similarity NPC287079
0.7108 Intermediate Similarity NPC469669
0.7108 Intermediate Similarity NPC469678
0.7108 Intermediate Similarity NPC475771
0.7105 Intermediate Similarity NPC210346
0.7083 Intermediate Similarity NPC471610
0.7079 Intermediate Similarity NPC474083
0.7079 Intermediate Similarity NPC471224
0.7079 Intermediate Similarity NPC269638
0.7073 Intermediate Similarity NPC247586
0.7065 Intermediate Similarity NPC472866
0.7065 Intermediate Similarity NPC477149
0.7065 Intermediate Similarity NPC48010
0.7065 Intermediate Similarity NPC477147
0.7053 Intermediate Similarity NPC9812
0.7053 Intermediate Similarity NPC29152
0.7045 Intermediate Similarity NPC97913
0.7045 Intermediate Similarity NPC310470
0.7037 Intermediate Similarity NPC18543
0.7021 Intermediate Similarity NPC90453
0.7021 Intermediate Similarity NPC8993
0.7021 Intermediate Similarity NPC53685
0.7021 Intermediate Similarity NPC298919
0.7013 Intermediate Similarity NPC474480
0.7011 Intermediate Similarity NPC78677
0.7011 Intermediate Similarity NPC59994
0.7011 Intermediate Similarity NPC47031
0.7011 Intermediate Similarity NPC150506
0.7 Intermediate Similarity NPC469994
0.7 Intermediate Similarity NPC186975
0.7 Intermediate Similarity NPC469688
0.7 Intermediate Similarity NPC469679
0.7 Intermediate Similarity NPC470346
0.7 Intermediate Similarity NPC472491
0.7 Intermediate Similarity NPC472494
0.6989 Remote Similarity NPC63748
0.6989 Remote Similarity NPC478244
0.6989 Remote Similarity NPC233116
0.6989 Remote Similarity NPC473998
0.6989 Remote Similarity NPC204341
0.6989 Remote Similarity NPC478243
0.6988 Remote Similarity NPC167049
0.6988 Remote Similarity NPC469691
0.6979 Remote Similarity NPC156546
0.6977 Remote Similarity NPC229204
0.6977 Remote Similarity NPC477371
0.6966 Remote Similarity NPC90446
0.6966 Remote Similarity NPC476412
0.6966 Remote Similarity NPC238197
0.6966 Remote Similarity NPC85774
0.6966 Remote Similarity NPC7927
0.6966 Remote Similarity NPC473246
0.6966 Remote Similarity NPC230527
0.6966 Remote Similarity NPC214043
0.6957 Remote Similarity NPC212664
0.6957 Remote Similarity NPC472475
0.6957 Remote Similarity NPC472477
0.6957 Remote Similarity NPC97032
0.6957 Remote Similarity NPC205548
0.6957 Remote Similarity NPC472489
0.6951 Remote Similarity NPC471660
0.6951 Remote Similarity NPC106309
0.6947 Remote Similarity NPC472932
0.6947 Remote Similarity NPC271195
0.6947 Remote Similarity NPC259286
0.6941 Remote Similarity NPC53581
0.6941 Remote Similarity NPC266193
0.6941 Remote Similarity NPC276769
0.6941 Remote Similarity NPC257666
0.6941 Remote Similarity NPC103987
0.6939 Remote Similarity NPC475099
0.6939 Remote Similarity NPC477950
0.6939 Remote Similarity NPC206079
0.6932 Remote Similarity NPC320514
0.6932 Remote Similarity NPC7414
0.6923 Remote Similarity NPC99909
0.6923 Remote Similarity NPC128644
0.6923 Remote Similarity NPC236618
0.6923 Remote Similarity NPC472481
0.6923 Remote Similarity NPC472482
0.6923 Remote Similarity NPC472493
0.6923 Remote Similarity NPC472484
0.6915 Remote Similarity NPC474807
0.6915 Remote Similarity NPC472930
0.6915 Remote Similarity NPC125180
0.6915 Remote Similarity NPC474736
0.6915 Remote Similarity NPC477520
0.6915 Remote Similarity NPC69454
0.6915 Remote Similarity NPC472871

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC301769 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 NPD4800 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4223 Phase 3
0.7326 Intermediate Similarity NPD4221 Approved
0.7273 Intermediate Similarity NPD5329 Approved
0.7273 Intermediate Similarity NPD7341 Phase 2
0.7191 Intermediate Similarity NPD3574 Clinical (unspecified phase)
0.7159 Intermediate Similarity NPD4197 Approved
0.7079 Intermediate Similarity NPD5363 Approved
0.7065 Intermediate Similarity NPD5785 Approved
0.7059 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD3617 Approved
0.7045 Intermediate Similarity NPD5362 Discontinued
0.7011 Intermediate Similarity NPD4692 Approved
0.7011 Intermediate Similarity NPD4139 Approved
0.7 Intermediate Similarity NPD4519 Discontinued
0.7 Intermediate Similarity NPD4138 Approved
0.7 Intermediate Similarity NPD4689 Approved
0.7 Intermediate Similarity NPD4694 Approved
0.7 Intermediate Similarity NPD5205 Approved
0.7 Intermediate Similarity NPD4688 Approved
0.7 Intermediate Similarity NPD4693 Phase 3
0.7 Intermediate Similarity NPD4690 Approved
0.7 Intermediate Similarity NPD4623 Approved
0.7 Intermediate Similarity NPD5690 Phase 2
0.7 Intermediate Similarity NPD5280 Approved
0.6932 Remote Similarity NPD4269 Approved
0.6932 Remote Similarity NPD4270 Approved
0.6848 Remote Similarity NPD4518 Approved
0.6778 Remote Similarity NPD3665 Phase 1
0.6778 Remote Similarity NPD3133 Approved
0.6778 Remote Similarity NPD3666 Approved
0.6774 Remote Similarity NPD4753 Phase 2
0.675 Remote Similarity NPD7331 Phase 2
0.6705 Remote Similarity NPD4252 Approved
0.6702 Remote Similarity NPD4096 Approved
0.6667 Remote Similarity NPD4788 Approved
0.6632 Remote Similarity NPD5284 Approved
0.6632 Remote Similarity NPD5281 Approved
0.663 Remote Similarity NPD5279 Phase 3
0.663 Remote Similarity NPD5786 Approved
0.6629 Remote Similarity NPD5369 Approved
0.6596 Remote Similarity NPD5328 Approved
0.6593 Remote Similarity NPD4786 Approved
0.6591 Remote Similarity NPD4195 Approved
0.6562 Remote Similarity NPD4202 Approved
0.6562 Remote Similarity NPD5133 Approved
0.6495 Remote Similarity NPD5282 Discontinued
0.6484 Remote Similarity NPD5332 Approved
0.6484 Remote Similarity NPD5331 Approved
0.6465 Remote Similarity NPD6083 Phase 2
0.6465 Remote Similarity NPD6084 Phase 2
0.6458 Remote Similarity NPD6079 Approved
0.6452 Remote Similarity NPD3618 Phase 1
0.6444 Remote Similarity NPD4790 Discontinued
0.6429 Remote Similarity NPD5210 Approved
0.6429 Remote Similarity NPD4629 Approved
0.6429 Remote Similarity NPD5695 Phase 3
0.6421 Remote Similarity NPD6904 Approved
0.6421 Remote Similarity NPD6673 Approved
0.6421 Remote Similarity NPD6080 Approved
0.6415 Remote Similarity NPD6371 Approved
0.6374 Remote Similarity NPD3667 Approved
0.6373 Remote Similarity NPD5211 Phase 2
0.6354 Remote Similarity NPD5207 Approved
0.6333 Remote Similarity NPD4819 Approved
0.6333 Remote Similarity NPD4821 Approved
0.6333 Remote Similarity NPD4822 Approved
0.6333 Remote Similarity NPD4820 Approved
0.6333 Remote Similarity NPD4695 Discontinued
0.6316 Remote Similarity NPD6903 Approved
0.6316 Remote Similarity NPD5208 Approved
0.63 Remote Similarity NPD4755 Approved
0.6289 Remote Similarity NPD5693 Phase 1
0.6289 Remote Similarity NPD6050 Approved
0.6277 Remote Similarity NPD6409 Approved
0.6277 Remote Similarity NPD7521 Approved
0.6277 Remote Similarity NPD7146 Approved
0.6277 Remote Similarity NPD5330 Approved
0.6277 Remote Similarity NPD6684 Approved
0.6277 Remote Similarity NPD7334 Approved
0.6277 Remote Similarity NPD6098 Approved
0.6263 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6263 Remote Similarity NPD6356 Clinical (unspecified phase)
0.625 Remote Similarity NPD5141 Approved
0.6238 Remote Similarity NPD5696 Approved
0.6235 Remote Similarity NPD4747 Approved
0.6207 Remote Similarity NPD5733 Approved
0.619 Remote Similarity NPD5360 Phase 3
0.619 Remote Similarity NPD5361 Clinical (unspecified phase)
0.6186 Remote Similarity NPD5692 Phase 3
0.6176 Remote Similarity NPD5285 Approved
0.6176 Remote Similarity NPD5286 Approved
0.6176 Remote Similarity NPD4700 Approved
0.6176 Remote Similarity NPD4696 Approved
0.6176 Remote Similarity NPD6404 Discontinued
0.617 Remote Similarity NPD1696 Phase 3
0.6163 Remote Similarity NPD5276 Approved
0.6163 Remote Similarity NPD4243 Approved
0.6162 Remote Similarity NPD6001 Approved
0.6154 Remote Similarity NPD5368 Approved
0.6146 Remote Similarity NPD7513 Clinical (unspecified phase)
0.6146 Remote Similarity NPD6672 Approved
0.6146 Remote Similarity NPD5737 Approved
0.6132 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6129 Remote Similarity NPD7154 Phase 3
0.6122 Remote Similarity NPD5694 Approved
0.6118 Remote Similarity NPD4137 Phase 3
0.6117 Remote Similarity NPD5223 Approved
0.6111 Remote Similarity NPD4268 Approved
0.6111 Remote Similarity NPD4271 Approved
0.6075 Remote Similarity NPD7320 Approved
0.6071 Remote Similarity NPD7115 Discovery
0.6061 Remote Similarity NPD6399 Phase 3
0.6058 Remote Similarity NPD5224 Approved
0.6058 Remote Similarity NPD5225 Approved
0.6058 Remote Similarity NPD5226 Approved
0.6058 Remote Similarity NPD4633 Approved
0.6058 Remote Similarity NPD5091 Approved
0.6047 Remote Similarity NPD4691 Approved
0.604 Remote Similarity NPD5220 Clinical (unspecified phase)
0.604 Remote Similarity NPD4697 Phase 3
0.604 Remote Similarity NPD5222 Approved
0.604 Remote Similarity NPD5221 Approved
0.6038 Remote Similarity NPD6675 Approved
0.6038 Remote Similarity NPD6402 Approved
0.6038 Remote Similarity NPD7128 Approved
0.6038 Remote Similarity NPD5739 Approved
0.6024 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6023 Remote Similarity NPD4784 Approved
0.6023 Remote Similarity NPD4687 Approved
0.6023 Remote Similarity NPD6924 Approved
0.6023 Remote Similarity NPD6926 Approved
0.6023 Remote Similarity NPD4785 Approved
0.6022 Remote Similarity NPD5209 Approved
0.6022 Remote Similarity NPD6435 Approved
0.6 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6 Remote Similarity NPD4754 Approved
0.6 Remote Similarity NPD5175 Approved
0.6 Remote Similarity NPD5174 Approved
0.598 Remote Similarity NPD5173 Approved
0.5978 Remote Similarity NPD6931 Approved
0.5978 Remote Similarity NPD6930 Phase 2
0.5978 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5963 Remote Similarity NPD4634 Approved
0.596 Remote Similarity NPD7637 Suspended
0.5941 Remote Similarity NPD5654 Approved
0.5934 Remote Similarity NPD7322 Clinical (unspecified phase)
0.5926 Remote Similarity NPD6881 Approved
0.5926 Remote Similarity NPD6899 Approved
0.5918 Remote Similarity NPD7285 Clinical (unspecified phase)
0.5914 Remote Similarity NPD857 Phase 3
0.5895 Remote Similarity NPD3668 Phase 3
0.5889 Remote Similarity NPD6933 Approved
0.5888 Remote Similarity NPD4767 Approved
0.5888 Remote Similarity NPD4768 Approved
0.5872 Remote Similarity NPD6372 Approved
0.5872 Remote Similarity NPD6373 Approved
0.587 Remote Similarity NPD6929 Approved
0.5865 Remote Similarity NPD7640 Approved
0.5865 Remote Similarity NPD7639 Approved
0.5862 Remote Similarity NPD4245 Approved
0.5862 Remote Similarity NPD4244 Approved
0.5862 Remote Similarity NPD4789 Approved
0.5851 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5849 Remote Similarity NPD6052 Approved
0.5843 Remote Similarity NPD4058 Approved
0.5833 Remote Similarity NPD5701 Approved
0.5833 Remote Similarity NPD5697 Approved
0.5833 Remote Similarity NPD7520 Clinical (unspecified phase)
0.5833 Remote Similarity NPD1694 Approved
0.5825 Remote Similarity NPD5959 Approved
0.5818 Remote Similarity NPD7102 Approved
0.5818 Remote Similarity NPD7290 Approved
0.5818 Remote Similarity NPD6883 Approved
0.5806 Remote Similarity NPD7332 Phase 2
0.5806 Remote Similarity NPD7514 Phase 3
0.5802 Remote Similarity NPD3198 Approved
0.58 Remote Similarity NPD7515 Phase 2
0.5795 Remote Similarity NPD4758 Discontinued
0.5795 Remote Similarity NPD4809 Clinical (unspecified phase)
0.5795 Remote Similarity NPD6081 Approved
0.5795 Remote Similarity NPD4808 Clinical (unspecified phase)
0.5789 Remote Similarity NPD6695 Phase 3
0.5783 Remote Similarity NPD2664 Clinical (unspecified phase)
0.578 Remote Similarity NPD5128 Approved
0.578 Remote Similarity NPD6011 Approved
0.578 Remote Similarity NPD4729 Approved
0.578 Remote Similarity NPD4730 Approved
0.5778 Remote Similarity NPD5275 Approved
0.5778 Remote Similarity NPD4190 Phase 3
0.5776 Remote Similarity NPD6054 Approved
0.5776 Remote Similarity NPD6059 Approved
0.5769 Remote Similarity NPD7638 Approved
0.5766 Remote Similarity NPD6869 Approved
0.5766 Remote Similarity NPD6847 Approved
0.5766 Remote Similarity NPD6617 Approved
0.5766 Remote Similarity NPD6650 Approved
0.5766 Remote Similarity NPD6649 Approved
0.5766 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5766 Remote Similarity NPD8130 Phase 1

Structure

External Identifiers

PubChem CID   52951744
ChEMBL   CHEMBL1774430
ZINC  

Physicochemical Properties

Molecular Weight:  304.24
ALogP:  1.4654
MLogP:  3.44
XLogP:  5.281
# Rotatable Bonds:  7
Polar Surface Area:  37.3
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  22

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
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