Natural Product: NPC475517

Natural Product ID:  NPC475517
Common Name:   Suberosenol A Acetate
IUPAC Name:  
Synonyms:   Suberosenol A acetate
Molecular Formula:   C17H26O2
Standard InCHIKey:  UZRAQUNNGNYEHD-JZFARQHMSA-N
Standard InCHI:  InChI=1S/C17H26O2/c1-10-6-7-13-14-8-15(19-12(3)18)11(2)17(10,14)9-16(13,4)5/h10,13-15H,2,6-9H2,1,3-5H3/t10-,13-,14-,15-,17+/m0/s1
Canonical SMILES:  CC(=O)O[C@H]1C[C@@H]2[C@]3(C1=C)CC([C@H]2CC[C@@H]3C)(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
NPO19653 Isis hippuris Species Isididae Eukaryota PMID[11141096]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT139 Cell Line HT-29 Homo sapiens ED50 = 3.6 ug/ml 20614907
NPT168 Cell Line P388 Mus musculus ED50 = 7.6 ug/ml 16933872
NPT81 Cell Line A549 Homo sapiens ED50 = 8 ug/ml 16933872

  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 NPC475517 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 NPC474524
0.8125 Intermediate Similarity NPC170862
0.7975 Intermediate Similarity NPC472470
0.7975 Intermediate Similarity NPC80622
0.7922 Intermediate Similarity NPC472472
0.7848 Intermediate Similarity NPC44083
0.7848 Intermediate Similarity NPC153987
0.7848 Intermediate Similarity NPC305835
0.7848 Intermediate Similarity NPC47808
0.7838 Intermediate Similarity NPC22301
0.7831 Intermediate Similarity NPC286153
0.7831 Intermediate Similarity NPC472505
0.7808 Intermediate Similarity NPC74885
0.7808 Intermediate Similarity NPC308522
0.775 Intermediate Similarity NPC206735
0.775 Intermediate Similarity NPC304194
0.775 Intermediate Similarity NPC170038
0.7714 Intermediate Similarity NPC84218
0.7701 Intermediate Similarity NPC475700
0.7683 Intermediate Similarity NPC472473
0.7647 Intermediate Similarity NPC473879
0.7625 Intermediate Similarity NPC242767
0.7625 Intermediate Similarity NPC118987
0.7606 Intermediate Similarity NPC83088
0.7595 Intermediate Similarity NPC475932
0.759 Intermediate Similarity NPC100391
0.7558 Intermediate Similarity NPC288699
0.7558 Intermediate Similarity NPC473647
0.7558 Intermediate Similarity NPC177141
0.7534 Intermediate Similarity NPC474768
0.7531 Intermediate Similarity NPC233332
0.7528 Intermediate Similarity NPC280877
0.7471 Intermediate Similarity NPC273199
0.747 Intermediate Similarity NPC139206
0.747 Intermediate Similarity NPC30502
0.747 Intermediate Similarity NPC473742
0.747 Intermediate Similarity NPC5280
0.7468 Intermediate Similarity NPC476317
0.7442 Intermediate Similarity NPC28227
0.7439 Intermediate Similarity NPC472471
0.7439 Intermediate Similarity NPC38642
0.7436 Intermediate Similarity NPC71152
0.7429 Intermediate Similarity NPC240206
0.7412 Intermediate Similarity NPC470050
0.7412 Intermediate Similarity NPC80590
0.7412 Intermediate Similarity NPC168231
0.7412 Intermediate Similarity NPC470051
0.7407 Intermediate Similarity NPC471475
0.7386 Intermediate Similarity NPC177641
0.7386 Intermediate Similarity NPC234335
0.7386 Intermediate Similarity NPC130840
0.7381 Intermediate Similarity NPC263974
0.7381 Intermediate Similarity NPC219011
0.7381 Intermediate Similarity NPC239362
0.7381 Intermediate Similarity NPC96055
0.7381 Intermediate Similarity NPC475100
0.7381 Intermediate Similarity NPC470011
0.7381 Intermediate Similarity NPC475509
0.7375 Intermediate Similarity NPC189206
0.7363 Intermediate Similarity NPC231751
0.7361 Intermediate Similarity NPC147524
0.7349 Intermediate Similarity NPC471218
0.7349 Intermediate Similarity NPC170985
0.7349 Intermediate Similarity NPC472504
0.7349 Intermediate Similarity NPC226988
0.7326 Intermediate Similarity NPC167877
0.7326 Intermediate Similarity NPC474832
0.7324 Intermediate Similarity NPC87828
0.7324 Intermediate Similarity NPC9880
0.7324 Intermediate Similarity NPC230070
0.7317 Intermediate Similarity NPC469802
0.7308 Intermediate Similarity NPC279241
0.7294 Intermediate Similarity NPC474013
0.7294 Intermediate Similarity NPC98270
0.7294 Intermediate Similarity NPC470223
0.7294 Intermediate Similarity NPC471795
0.7294 Intermediate Similarity NPC323765
0.7284 Intermediate Similarity NPC63020
0.7284 Intermediate Similarity NPC184737
0.7284 Intermediate Similarity NPC264610
0.7273 Intermediate Similarity NPC302280
0.7262 Intermediate Similarity NPC194637
0.7262 Intermediate Similarity NPC470047
0.7262 Intermediate Similarity NPC23748
0.7262 Intermediate Similarity NPC311070
0.7262 Intermediate Similarity NPC471037
0.7262 Intermediate Similarity NPC49208
0.7262 Intermediate Similarity NPC245866
0.7262 Intermediate Similarity NPC470046
0.7262 Intermediate Similarity NPC193198
0.7253 Intermediate Similarity NPC307164
0.725 Intermediate Similarity NPC92489
0.7241 Intermediate Similarity NPC470613
0.7241 Intermediate Similarity NPC160304
0.7241 Intermediate Similarity NPC229407
0.7241 Intermediate Similarity NPC183374
0.7241 Intermediate Similarity NPC250687
0.7241 Intermediate Similarity NPC226863
0.7241 Intermediate Similarity NPC254572
0.7241 Intermediate Similarity NPC470612
0.7241 Intermediate Similarity NPC211162
0.7241 Intermediate Similarity NPC48824
0.7229 Intermediate Similarity NPC25554
0.7229 Intermediate Similarity NPC232625
0.7222 Intermediate Similarity NPC66145
0.7222 Intermediate Similarity NPC39453
0.7222 Intermediate Similarity NPC3359
0.7209 Intermediate Similarity NPC264127
0.7209 Intermediate Similarity NPC474970
0.7209 Intermediate Similarity NPC195640
0.7191 Intermediate Similarity NPC471747
0.7176 Intermediate Similarity NPC474693
0.7176 Intermediate Similarity NPC165064
0.7176 Intermediate Similarity NPC299963
0.7162 Intermediate Similarity NPC329698
0.716 Intermediate Similarity NPC84868
0.716 Intermediate Similarity NPC476439
0.716 Intermediate Similarity NPC186109
0.7159 Intermediate Similarity NPC269267
0.7159 Intermediate Similarity NPC24772
0.7159 Intermediate Similarity NPC116146
0.7143 Intermediate Similarity NPC281134
0.7143 Intermediate Similarity NPC33473
0.7143 Intermediate Similarity NPC471159
0.7143 Intermediate Similarity NPC123880
0.7128 Intermediate Similarity NPC247701
0.7128 Intermediate Similarity NPC268829
0.7128 Intermediate Similarity NPC295110
0.7128 Intermediate Similarity NPC222875
0.7128 Intermediate Similarity NPC25177
0.7126 Intermediate Similarity NPC470012
0.7126 Intermediate Similarity NPC471657
0.7126 Intermediate Similarity NPC175293
0.7126 Intermediate Similarity NPC45957
0.7126 Intermediate Similarity NPC166857
0.7126 Intermediate Similarity NPC471796
0.7126 Intermediate Similarity NPC478104
0.7126 Intermediate Similarity NPC134197
0.7125 Intermediate Similarity NPC113639
0.7108 Intermediate Similarity NPC195424
0.7108 Intermediate Similarity NPC290508
0.7108 Intermediate Similarity NPC6823
0.7108 Intermediate Similarity NPC293418
0.7108 Intermediate Similarity NPC73052
0.7105 Intermediate Similarity NPC469868
0.7097 Intermediate Similarity NPC181147
0.7097 Intermediate Similarity NPC252295
0.7097 Intermediate Similarity NPC473155
0.7093 Intermediate Similarity NPC473659
0.7093 Intermediate Similarity NPC475860
0.7093 Intermediate Similarity NPC472442
0.7093 Intermediate Similarity NPC470048
0.7093 Intermediate Similarity NPC474971
0.7093 Intermediate Similarity NPC474694
0.7093 Intermediate Similarity NPC189311
0.7089 Intermediate Similarity NPC12680
0.7089 Intermediate Similarity NPC472506
0.7079 Intermediate Similarity NPC123252
0.7079 Intermediate Similarity NPC194485
0.7079 Intermediate Similarity NPC53890
0.7079 Intermediate Similarity NPC219937
0.7065 Intermediate Similarity NPC88009
0.7065 Intermediate Similarity NPC322063
0.7059 Intermediate Similarity NPC472440
0.7059 Intermediate Similarity NPC12283
0.7059 Intermediate Similarity NPC474193
0.7059 Intermediate Similarity NPC477667
0.7059 Intermediate Similarity NPC127917
0.7059 Intermediate Similarity NPC477124
0.7059 Intermediate Similarity NPC54468
0.7059 Intermediate Similarity NPC321385
0.7045 Intermediate Similarity NPC477128
0.7045 Intermediate Similarity NPC93411
0.7045 Intermediate Similarity NPC97884
0.7045 Intermediate Similarity NPC144069
0.7045 Intermediate Similarity NPC472220
0.7045 Intermediate Similarity NPC471956
0.7045 Intermediate Similarity NPC255176
0.7045 Intermediate Similarity NPC4309
0.7033 Intermediate Similarity NPC471994
0.7033 Intermediate Similarity NPC471720
0.7033 Intermediate Similarity NPC120351
0.7033 Intermediate Similarity NPC201725
0.7033 Intermediate Similarity NPC166143
0.7024 Intermediate Similarity NPC474759
0.7024 Intermediate Similarity NPC7505
0.7024 Intermediate Similarity NPC474683
0.7024 Intermediate Similarity NPC474731
0.7024 Intermediate Similarity NPC82986
0.7024 Intermediate Similarity NPC475951
0.7024 Intermediate Similarity NPC474752
0.7021 Intermediate Similarity NPC470906
0.7021 Intermediate Similarity NPC201406
0.7021 Intermediate Similarity NPC472826
0.7021 Intermediate Similarity NPC476303
0.7013 Intermediate Similarity NPC476945
0.7011 Intermediate Similarity NPC12774
0.7011 Intermediate Similarity NPC85698
0.7011 Intermediate Similarity NPC102996
0.7011 Intermediate Similarity NPC475007

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC475517 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
0.7765 Intermediate Similarity NPD6051 Approved
0.7442 Intermediate Similarity NPD6903 Approved
0.7209 Intermediate Similarity NPD7521 Approved
0.7209 Intermediate Similarity NPD7146 Approved
0.7209 Intermediate Similarity NPD7334 Approved
0.7209 Intermediate Similarity NPD6684 Approved
0.7209 Intermediate Similarity NPD6409 Approved
0.7209 Intermediate Similarity NPD5330 Approved
0.7045 Intermediate Similarity NPD7513 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD5693 Phase 1
0.6941 Remote Similarity NPD4752 Clinical (unspecified phase)
0.6915 Remote Similarity NPD7638 Approved
0.6897 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6897 Remote Similarity NPD6082 Clinical (unspecified phase)
0.6854 Remote Similarity NPD5737 Approved
0.6854 Remote Similarity NPD6672 Approved
0.6842 Remote Similarity NPD7640 Approved
0.6842 Remote Similarity NPD7639 Approved
0.6818 Remote Similarity NPD6098 Approved
0.6813 Remote Similarity NPD8034 Phase 2
0.6813 Remote Similarity NPD8035 Phase 2
0.675 Remote Similarity NPD5777 Approved
0.6739 Remote Similarity NPD6399 Phase 3
0.6703 Remote Similarity NPD5207 Approved
0.6667 Remote Similarity NPD5208 Approved
0.6627 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6596 Remote Similarity NPD6356 Clinical (unspecified phase)
0.6596 Remote Similarity NPD5695 Phase 3
0.6593 Remote Similarity NPD6673 Approved
0.6593 Remote Similarity NPD6080 Approved
0.6593 Remote Similarity NPD6904 Approved
0.6522 Remote Similarity NPD5692 Phase 3
0.6517 Remote Similarity NPD1694 Approved
0.6506 Remote Similarity NPD3702 Approved
0.6506 Remote Similarity NPD6942 Approved
0.6506 Remote Similarity NPD7339 Approved
0.6489 Remote Similarity NPD6001 Approved
0.6477 Remote Similarity NPD4788 Approved
0.6458 Remote Similarity NPD6083 Phase 2
0.6458 Remote Similarity NPD6084 Phase 2
0.6452 Remote Similarity NPD5694 Approved
0.6452 Remote Similarity NPD6050 Approved
0.641 Remote Similarity NPD2685 Clinical (unspecified phase)
0.6404 Remote Similarity NPD3133 Approved
0.6404 Remote Similarity NPD3665 Phase 1
0.6404 Remote Similarity NPD3666 Approved
0.6404 Remote Similarity NPD4786 Approved
0.6395 Remote Similarity NPD4195 Approved
0.6392 Remote Similarity NPD5696 Approved
0.6386 Remote Similarity NPD6926 Approved
0.6386 Remote Similarity NPD6924 Approved
0.6373 Remote Similarity NPD7320 Approved
0.6364 Remote Similarity NPD7632 Discontinued
0.6364 Remote Similarity NPD3667 Approved
0.6341 Remote Similarity NPD4243 Approved
0.6337 Remote Similarity NPD6008 Approved
0.6322 Remote Similarity NPD7525 Registered
0.6316 Remote Similarity NPD1145 Discontinued
0.6316 Remote Similarity NPD5707 Approved
0.631 Remote Similarity NPD8039 Approved
0.6292 Remote Similarity NPD5362 Discontinued
0.6292 Remote Similarity NPD5332 Approved
0.6292 Remote Similarity NPD6695 Phase 3
0.6292 Remote Similarity NPD5331 Approved
0.6282 Remote Similarity NPD5325 Clinical (unspecified phase)
0.6277 Remote Similarity NPD7637 Suspended
0.625 Remote Similarity NPD4790 Discontinued
0.6237 Remote Similarity NPD1695 Approved
0.6235 Remote Similarity NPD6933 Approved
0.6224 Remote Similarity NPD4225 Approved
0.6222 Remote Similarity NPD3668 Phase 3
0.6222 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6207 Remote Similarity NPD6929 Approved
0.6196 Remote Similarity NPD4751 Clinical (unspecified phase)
0.619 Remote Similarity NPD6113 Clinical (unspecified phase)
0.619 Remote Similarity NPD4784 Approved
0.619 Remote Similarity NPD4785 Approved
0.618 Remote Similarity NPD4223 Phase 3
0.618 Remote Similarity NPD4221 Approved
0.6176 Remote Similarity NPD6402 Approved
0.6176 Remote Similarity NPD7128 Approved
0.6176 Remote Similarity NPD5739 Approved
0.6176 Remote Similarity NPD6675 Approved
0.6147 Remote Similarity NPD7328 Approved
0.6147 Remote Similarity NPD7327 Approved
0.6136 Remote Similarity NPD6931 Approved
0.6136 Remote Similarity NPD6930 Phase 2
0.6136 Remote Similarity NPD4748 Discontinued
0.6132 Remote Similarity NPD6053 Discontinued
0.6118 Remote Similarity NPD4190 Phase 3
0.6118 Remote Similarity NPD5275 Approved
0.6117 Remote Similarity NPD5697 Approved
0.6117 Remote Similarity NPD5701 Approved
0.6105 Remote Similarity NPD5281 Approved
0.6105 Remote Similarity NPD5284 Approved
0.6098 Remote Similarity NPD6923 Approved
0.6098 Remote Similarity NPD6922 Approved
0.6092 Remote Similarity NPD5784 Clinical (unspecified phase)
0.6091 Remote Similarity NPD7516 Approved
0.6087 Remote Similarity NPD5279 Phase 3
0.6087 Remote Similarity NPD3618 Phase 1
0.6082 Remote Similarity NPD5654 Approved
0.6075 Remote Similarity NPD8133 Approved
0.6064 Remote Similarity NPD5328 Approved
0.6064 Remote Similarity NPD4753 Phase 2
0.6058 Remote Similarity NPD6881 Approved
0.6058 Remote Similarity NPD6899 Approved
0.6058 Remote Similarity NPD6011 Approved
0.6047 Remote Similarity NPD6117 Approved
0.6044 Remote Similarity NPD4197 Approved
0.6042 Remote Similarity NPD4202 Approved
0.6036 Remote Similarity NPD8377 Approved
0.6036 Remote Similarity NPD8294 Approved
0.6024 Remote Similarity NPD7143 Approved
0.6024 Remote Similarity NPD7144 Approved
0.6022 Remote Similarity NPD7750 Discontinued
0.6022 Remote Similarity NPD7524 Approved
0.6 Remote Similarity NPD6014 Approved
0.6 Remote Similarity NPD6372 Approved
0.6 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6 Remote Similarity NPD5785 Approved
0.6 Remote Similarity NPD5209 Approved
0.6 Remote Similarity NPD6013 Approved
0.6 Remote Similarity NPD6012 Approved
0.6 Remote Similarity NPD6373 Approved
0.5982 Remote Similarity NPD8335 Approved
0.5982 Remote Similarity NPD8380 Approved
0.5982 Remote Similarity NPD8378 Approved
0.5982 Remote Similarity NPD8379 Approved
0.5982 Remote Similarity NPD8033 Approved
0.5982 Remote Similarity NPD8296 Approved
0.598 Remote Similarity NPD6052 Approved
0.5979 Remote Similarity NPD7901 Clinical (unspecified phase)
0.5979 Remote Similarity NPD7748 Approved
0.5979 Remote Similarity NPD7900 Approved
0.5978 Remote Similarity NPD5329 Approved
0.5977 Remote Similarity NPD5776 Phase 2
0.5977 Remote Similarity NPD6925 Approved
0.5977 Remote Similarity NPD6116 Phase 1
0.596 Remote Similarity NPD5959 Approved
0.5955 Remote Similarity NPD5790 Clinical (unspecified phase)
0.5952 Remote Similarity NPD7152 Approved
0.5952 Remote Similarity NPD7151 Approved
0.5952 Remote Similarity NPD7150 Approved
0.5943 Remote Similarity NPD7102 Approved
0.5943 Remote Similarity NPD7290 Approved
0.5943 Remote Similarity NPD6883 Approved
0.5938 Remote Similarity NPD6079 Approved
0.5926 Remote Similarity NPD4224 Phase 2
0.5914 Remote Similarity NPD4693 Phase 3
0.5914 Remote Similarity NPD4694 Approved
0.5914 Remote Similarity NPD4689 Approved
0.5914 Remote Similarity NPD5690 Phase 2
0.5914 Remote Similarity NPD4688 Approved
0.5914 Remote Similarity NPD5205 Approved
0.5914 Remote Similarity NPD5280 Approved
0.5914 Remote Similarity NPD4690 Approved
0.5914 Remote Similarity NPD4138 Approved
0.5909 Remote Similarity NPD7145 Approved
0.5909 Remote Similarity NPD6697 Approved
0.5909 Remote Similarity NPD6118 Approved
0.5909 Remote Similarity NPD6115 Approved
0.5909 Remote Similarity NPD6114 Approved
0.5909 Remote Similarity NPD7115 Discovery
0.5904 Remote Similarity NPD3698 Phase 2
0.5889 Remote Similarity NPD4692 Approved
0.5889 Remote Similarity NPD4139 Approved
0.5888 Remote Similarity NPD8130 Phase 1
0.5888 Remote Similarity NPD6847 Approved
0.5888 Remote Similarity NPD6617 Approved
0.5888 Remote Similarity NPD6649 Approved
0.5888 Remote Similarity NPD6869 Approved
0.5888 Remote Similarity NPD6401 Clinical (unspecified phase)
0.5888 Remote Similarity NPD6650 Approved
0.587 Remote Similarity NPD6400 Clinical (unspecified phase)
0.5859 Remote Similarity NPD4792 Clinical (unspecified phase)
0.5851 Remote Similarity NPD3573 Approved
0.5843 Remote Similarity NPD7645 Phase 2
0.5841 Remote Similarity NPD7503 Approved
0.5833 Remote Similarity NPD8297 Approved
0.5833 Remote Similarity NPD4747 Approved
0.5833 Remote Similarity NPD4244 Approved
0.5833 Remote Similarity NPD4245 Approved
0.5833 Remote Similarity NPD6882 Approved
0.5824 Remote Similarity NPD6435 Approved
0.5806 Remote Similarity NPD6893 Approved
0.58 Remote Similarity NPD7902 Approved
0.58 Remote Similarity NPD4755 Approved
0.5795 Remote Similarity NPD6932 Approved
0.5778 Remote Similarity NPD7509 Discontinued
0.5778 Remote Similarity NPD4821 Approved
0.5778 Remote Similarity NPD4820 Approved
0.5778 Remote Similarity NPD4822 Approved
0.5778 Remote Similarity NPD6928 Phase 2
0.5778 Remote Similarity NPD4819 Approved
0.5778 Remote Similarity NPD7514 Phase 3
0.5776 Remote Similarity NPD7507 Approved
0.5773 Remote Similarity NPD7087 Discontinued
0.5773 Remote Similarity NPD7515 Phase 2
0.5765 Remote Similarity NPD4809 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   10084080
ChEMBL   CHEMBL507165
ZINC  

Physicochemical Properties

Molecular Weight:  262.19
ALogP:  2.2125
MLogP:  3.11
XLogP:  5.158
# Rotatable Bonds:  6
Polar Surface Area:  26.3
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  19

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs