Natural Product: NPC191711

Natural Product ID:  NPC191711
Common Name:   Eiseniaiodide B
IUPAC Name:   (1R,2S,12Z,14S,15R,16R)-2-ethyl-15-hydroxy-16-iodo-3-oxabicyclo[12.3.0]heptadec-12-en-4-one
Synonyms:  
Molecular Formula:   C18H29IO3
Standard InCHIKey:  XTORBLOSTOUDGB-RAETWKFMSA-N
Standard InCHI:  InChI=1S/C18H29IO3/c1-2-16-14-12-15(19)18(21)13(14)10-8-6-4-3-5-7-9-11-17(20)22-16/h8,10,13-16,18,21H,2-7,9,11-12H2,1H3/b10-8-/t13-,14+,15+,16-,18+/m0/s1
Canonical SMILES:  CC[C@@H]1OC(=O)CCCCCCC/C=C[C@H]2[C@H]1C[C@H]([C@@H]2O)I
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
NPO27567 Eisenia bicyclis Species Lessoniaceae Eukaryota PMID[14575430]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis Activity = 0.28 19114678
NPT16 Organism Staphylococcus aureus Staphylococcus aureus Activity = 0.47 22608855

  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 NPC191711 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
0.8471 Intermediate Similarity NPC475712
0.8353 Intermediate Similarity NPC475405
0.8235 Intermediate Similarity NPC184461
0.814 Intermediate Similarity NPC316629
0.8072 Intermediate Similarity NPC88735
0.7927 Intermediate Similarity NPC27949
0.7927 Intermediate Similarity NPC323249
0.7927 Intermediate Similarity NPC260814
0.7927 Intermediate Similarity NPC39547
0.7831 Intermediate Similarity NPC164308
0.7765 Intermediate Similarity NPC7414
0.7738 Intermediate Similarity NPC115418
0.7683 Intermediate Similarity NPC279537
0.7674 Intermediate Similarity NPC111409
0.7647 Intermediate Similarity NPC316844
0.7647 Intermediate Similarity NPC47031
0.7647 Intermediate Similarity NPC126248
0.7619 Intermediate Similarity NPC226226
0.7619 Intermediate Similarity NPC201225
0.7619 Intermediate Similarity NPC55304
0.7586 Intermediate Similarity NPC475732
0.7561 Intermediate Similarity NPC217725
0.7553 Intermediate Similarity NPC161493
0.7553 Intermediate Similarity NPC472290
0.7529 Intermediate Similarity NPC156658
0.7529 Intermediate Similarity NPC258965
0.7527 Intermediate Similarity NPC67584
0.7527 Intermediate Similarity NPC52044
0.7527 Intermediate Similarity NPC213698
0.7473 Intermediate Similarity NPC301969
0.7473 Intermediate Similarity NPC37607
0.7471 Intermediate Similarity NPC128246
0.7471 Intermediate Similarity NPC477667
0.7447 Intermediate Similarity NPC213078
0.7439 Intermediate Similarity NPC472966
0.7419 Intermediate Similarity NPC127019
0.7416 Intermediate Similarity NPC67493
0.7391 Intermediate Similarity NPC475925
0.7375 Intermediate Similarity NPC317583
0.7375 Intermediate Similarity NPC199557
0.7368 Intermediate Similarity NPC201939
0.7349 Intermediate Similarity NPC113639
0.7342 Intermediate Similarity NPC60120
0.734 Intermediate Similarity NPC170120
0.7326 Intermediate Similarity NPC200446
0.732 Intermediate Similarity NPC150923
0.7294 Intermediate Similarity NPC218817
0.7294 Intermediate Similarity NPC469495
0.7294 Intermediate Similarity NPC11796
0.7283 Intermediate Similarity NPC54065
0.7283 Intermediate Similarity NPC297474
0.7273 Intermediate Similarity NPC250315
0.7263 Intermediate Similarity NPC18019
0.7263 Intermediate Similarity NPC24956
0.7253 Intermediate Similarity NPC294480
0.7253 Intermediate Similarity NPC202672
0.7253 Intermediate Similarity NPC207114
0.7253 Intermediate Similarity NPC217983
0.7253 Intermediate Similarity NPC91248
0.7237 Intermediate Similarity NPC243532
0.7234 Intermediate Similarity NPC90453
0.7234 Intermediate Similarity NPC198853
0.7222 Intermediate Similarity NPC56593
0.7222 Intermediate Similarity NPC477668
0.7215 Intermediate Similarity NPC154728
0.7215 Intermediate Similarity NPC126899
0.7215 Intermediate Similarity NPC304665
0.7209 Intermediate Similarity NPC209995
0.7204 Intermediate Similarity NPC35959
0.7204 Intermediate Similarity NPC133888
0.7204 Intermediate Similarity NPC131209
0.7204 Intermediate Similarity NPC221282
0.7204 Intermediate Similarity NPC29821
0.7204 Intermediate Similarity NPC57304
0.7204 Intermediate Similarity NPC293001
0.7204 Intermediate Similarity NPC171360
0.7204 Intermediate Similarity NPC133698
0.7204 Intermediate Similarity NPC63193
0.7191 Intermediate Similarity NPC165287
0.7191 Intermediate Similarity NPC82297
0.7191 Intermediate Similarity NPC224386
0.7191 Intermediate Similarity NPC474776
0.7191 Intermediate Similarity NPC194859
0.7188 Intermediate Similarity NPC477949
0.7179 Intermediate Similarity NPC328089
0.7179 Intermediate Similarity NPC68343
0.7176 Intermediate Similarity NPC186109
0.7176 Intermediate Similarity NPC7563
0.7176 Intermediate Similarity NPC320630
0.7176 Intermediate Similarity NPC116177
0.7176 Intermediate Similarity NPC276769
0.7174 Intermediate Similarity NPC155935
0.7174 Intermediate Similarity NPC215556
0.7172 Intermediate Similarity NPC474775
0.7159 Intermediate Similarity NPC474252
0.7159 Intermediate Similarity NPC89555
0.7158 Intermediate Similarity NPC304886
0.7143 Intermediate Similarity NPC477959
0.7143 Intermediate Similarity NPC312215
0.7128 Intermediate Similarity NPC109414
0.7113 Intermediate Similarity NPC221615
0.7113 Intermediate Similarity NPC477854
0.7111 Intermediate Similarity NPC475206
0.7111 Intermediate Similarity NPC300082
0.7111 Intermediate Similarity NPC284534
0.7111 Intermediate Similarity NPC235792
0.7111 Intermediate Similarity NPC204105
0.7108 Intermediate Similarity NPC477085
0.71 Intermediate Similarity NPC29705
0.7097 Intermediate Similarity NPC123854
0.7097 Intermediate Similarity NPC19087
0.7097 Intermediate Similarity NPC478004
0.7097 Intermediate Similarity NPC35809
0.7097 Intermediate Similarity NPC473448
0.7097 Intermediate Similarity NPC475855
0.7097 Intermediate Similarity NPC158388
0.7097 Intermediate Similarity NPC216284
0.7097 Intermediate Similarity NPC478003
0.7097 Intermediate Similarity NPC46281
0.7093 Intermediate Similarity NPC192006
0.7093 Intermediate Similarity NPC267231
0.7083 Intermediate Similarity NPC477853
0.7083 Intermediate Similarity NPC42042
0.7079 Intermediate Similarity NPC1761
0.7079 Intermediate Similarity NPC69469
0.7079 Intermediate Similarity NPC52609
0.7073 Intermediate Similarity NPC318766
0.7073 Intermediate Similarity NPC472955
0.7065 Intermediate Similarity NPC224652
0.7065 Intermediate Similarity NPC247406
0.7065 Intermediate Similarity NPC48866
0.7065 Intermediate Similarity NPC183546
0.7065 Intermediate Similarity NPC79549
0.7059 Intermediate Similarity NPC110461
0.7059 Intermediate Similarity NPC61863
0.7059 Intermediate Similarity NPC12740
0.7053 Intermediate Similarity NPC262133
0.7053 Intermediate Similarity NPC470013
0.7053 Intermediate Similarity NPC470010
0.7053 Intermediate Similarity NPC477131
0.7053 Intermediate Similarity NPC323008
0.7045 Intermediate Similarity NPC52861
0.7045 Intermediate Similarity NPC470241
0.7045 Intermediate Similarity NPC325031
0.7041 Intermediate Similarity NPC218383
0.7037 Intermediate Similarity NPC476614
0.7033 Intermediate Similarity NPC477994
0.7033 Intermediate Similarity NPC475753
0.7033 Intermediate Similarity NPC64153
0.7033 Intermediate Similarity NPC212843
0.7033 Intermediate Similarity NPC477993
0.7033 Intermediate Similarity NPC187661
0.703 Intermediate Similarity NPC278628
0.703 Intermediate Similarity NPC231530
0.7024 Intermediate Similarity NPC55527
0.7021 Intermediate Similarity NPC30515
0.7021 Intermediate Similarity NPC154101
0.7021 Intermediate Similarity NPC184063
0.7021 Intermediate Similarity NPC12172
0.7021 Intermediate Similarity NPC472468
0.7021 Intermediate Similarity NPC208886
0.7021 Intermediate Similarity NPC184463
0.7011 Intermediate Similarity NPC98557
0.7011 Intermediate Similarity NPC167881
0.7011 Intermediate Similarity NPC86971
0.7011 Intermediate Similarity NPC470244
0.7011 Intermediate Similarity NPC470239
0.7011 Intermediate Similarity NPC89128
0.701 Intermediate Similarity NPC475438
0.701 Intermediate Similarity NPC87090
0.7 Intermediate Similarity NPC140723
0.7 Intermediate Similarity NPC472957
0.7 Intermediate Similarity NPC476804
0.7 Intermediate Similarity NPC156485
0.7 Intermediate Similarity NPC472958
0.6989 Remote Similarity NPC118193
0.6989 Remote Similarity NPC474032
0.6989 Remote Similarity NPC256902
0.6989 Remote Similarity NPC232747
0.6989 Remote Similarity NPC307411
0.6989 Remote Similarity NPC295312
0.6989 Remote Similarity NPC38392
0.6988 Remote Similarity NPC477087
0.6988 Remote Similarity NPC477086
0.6979 Remote Similarity NPC107476
0.6979 Remote Similarity NPC54905
0.6979 Remote Similarity NPC314009
0.6979 Remote Similarity NPC472873
0.6979 Remote Similarity NPC469599
0.6977 Remote Similarity NPC107668
0.6977 Remote Similarity NPC476439
0.697 Remote Similarity NPC171759
0.6966 Remote Similarity NPC246076
0.6957 Remote Similarity NPC474765
0.6957 Remote Similarity NPC160138
0.6957 Remote Similarity NPC237540
0.6957 Remote Similarity NPC86005
0.6951 Remote Similarity NPC22301
0.6951 Remote Similarity NPC144511
0.6951 Remote Similarity NPC296522

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC191711 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
0.8235 Intermediate Similarity NPD4249 Approved
0.8193 Intermediate Similarity NPD6435 Approved
0.8171 Intermediate Similarity NPD5790 Clinical (unspecified phase)
0.814 Intermediate Similarity NPD4250 Approved
0.814 Intermediate Similarity NPD4251 Approved
0.8072 Intermediate Similarity NPD5369 Approved
0.7952 Intermediate Similarity NPD5368 Approved
0.7927 Intermediate Similarity NPD4271 Approved
0.7927 Intermediate Similarity NPD4268 Approved
0.7882 Intermediate Similarity NPD5362 Discontinued
0.7765 Intermediate Similarity NPD4270 Approved
0.7765 Intermediate Similarity NPD4269 Approved
0.7738 Intermediate Similarity NPD4820 Approved
0.7738 Intermediate Similarity NPD4252 Approved
0.7738 Intermediate Similarity NPD4819 Approved
0.7738 Intermediate Similarity NPD4821 Approved
0.7738 Intermediate Similarity NPD4822 Approved
0.7614 Intermediate Similarity NPD5786 Approved
0.75 Intermediate Similarity NPD5363 Approved
0.7471 Intermediate Similarity NPD7154 Phase 3
0.7294 Intermediate Similarity NPD5784 Clinical (unspecified phase)
0.7283 Intermediate Similarity NPD5785 Approved
0.7273 Intermediate Similarity NPD5331 Approved
0.7273 Intermediate Similarity NPD5332 Approved
0.7241 Intermediate Similarity NPD4790 Discontinued
0.7111 Intermediate Similarity NPD6082 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD7983 Approved
0.6915 Remote Similarity NPD6698 Approved
0.6915 Remote Similarity NPD46 Approved
0.6883 Remote Similarity NPD3198 Approved
0.6813 Remote Similarity NPD5766 Clinical (unspecified phase)
0.6809 Remote Similarity NPD1695 Approved
0.6771 Remote Similarity NPD5779 Approved
0.6771 Remote Similarity NPD5778 Approved
0.6771 Remote Similarity NPD6399 Phase 3
0.675 Remote Similarity NPD3197 Phase 1
0.6667 Remote Similarity NPD6684 Approved
0.6667 Remote Similarity NPD7146 Approved
0.6667 Remote Similarity NPD5330 Approved
0.6667 Remote Similarity NPD6409 Approved
0.6667 Remote Similarity NPD7521 Approved
0.6667 Remote Similarity NPD7334 Approved
0.6667 Remote Similarity NPD7637 Suspended
0.6636 Remote Similarity NPD6053 Discontinued
0.6635 Remote Similarity NPD7899 Clinical (unspecified phase)
0.6632 Remote Similarity NPD5764 Clinical (unspecified phase)
0.6632 Remote Similarity NPD6101 Approved
0.6632 Remote Similarity NPD5370 Suspended
0.663 Remote Similarity NPD3133 Approved
0.663 Remote Similarity NPD3665 Phase 1
0.663 Remote Similarity NPD3666 Approved
0.66 Remote Similarity NPD7638 Approved
0.6593 Remote Similarity NPD3667 Approved
0.6535 Remote Similarity NPD7639 Approved
0.6535 Remote Similarity NPD7640 Approved
0.6533 Remote Similarity NPD3172 Approved
0.6531 Remote Similarity NPD5282 Discontinued
0.6526 Remote Similarity NPD6903 Approved
0.6526 Remote Similarity NPD7513 Clinical (unspecified phase)
0.65 Remote Similarity NPD6083 Phase 2
0.65 Remote Similarity NPD6084 Phase 2
0.6495 Remote Similarity NPD6411 Approved
0.6495 Remote Similarity NPD4810 Clinical (unspecified phase)
0.6476 Remote Similarity NPD5697 Approved
0.6476 Remote Similarity NPD6412 Phase 2
0.6476 Remote Similarity NPD6685 Approved
0.6465 Remote Similarity NPD1698 Clinical (unspecified phase)
0.6465 Remote Similarity NPD5695 Phase 3
0.6452 Remote Similarity NPD4786 Approved
0.6449 Remote Similarity NPD6371 Approved
0.6447 Remote Similarity NPD3194 Approved
0.6447 Remote Similarity NPD4266 Approved
0.6447 Remote Similarity NPD3195 Phase 2
0.6447 Remote Similarity NPD3196 Approved
0.6422 Remote Similarity NPD4632 Approved
0.6415 Remote Similarity NPD6011 Approved
0.6415 Remote Similarity NPD6881 Approved
0.6415 Remote Similarity NPD6899 Approved
0.64 Remote Similarity NPD7839 Suspended
0.6392 Remote Similarity NPD7838 Discovery
0.6383 Remote Similarity NPD1733 Clinical (unspecified phase)
0.6381 Remote Similarity NPD5739 Approved
0.6381 Remote Similarity NPD6675 Approved
0.6381 Remote Similarity NPD6402 Approved
0.6381 Remote Similarity NPD7128 Approved
0.6381 Remote Similarity NPD6008 Approved
0.6355 Remote Similarity NPD6014 Approved
0.6355 Remote Similarity NPD6013 Approved
0.6355 Remote Similarity NPD6012 Approved
0.6327 Remote Similarity NPD5284 Approved
0.6327 Remote Similarity NPD5281 Approved
0.6321 Remote Similarity NPD5701 Approved
0.631 Remote Similarity NPD4247 Clinical (unspecified phase)
0.6296 Remote Similarity NPD7290 Approved
0.6296 Remote Similarity NPD6883 Approved
0.6296 Remote Similarity NPD7102 Approved
0.6275 Remote Similarity NPD5696 Approved
0.6263 Remote Similarity NPD4202 Approved
0.6262 Remote Similarity NPD7320 Approved
0.625 Remote Similarity NPD6009 Approved
0.6239 Remote Similarity NPD6847 Approved
0.6239 Remote Similarity NPD8130 Phase 1
0.6239 Remote Similarity NPD6650 Approved
0.6239 Remote Similarity NPD6617 Approved
0.6239 Remote Similarity NPD6649 Approved
0.6239 Remote Similarity NPD6869 Approved
0.6238 Remote Similarity NPD4792 Clinical (unspecified phase)
0.6228 Remote Similarity NPD6319 Approved
0.6204 Remote Similarity NPD6373 Approved
0.6204 Remote Similarity NPD6372 Approved
0.619 Remote Similarity NPD5765 Approved
0.6182 Remote Similarity NPD8297 Approved
0.6182 Remote Similarity NPD6882 Approved
0.6174 Remote Similarity NPD5983 Phase 2
0.6173 Remote Similarity NPD4246 Clinical (unspecified phase)
0.6154 Remote Similarity NPD4238 Approved
0.6154 Remote Similarity NPD4802 Phase 2
0.6147 Remote Similarity NPD6420 Discontinued
0.6146 Remote Similarity NPD6098 Approved
0.6146 Remote Similarity NPD3618 Phase 1
0.6146 Remote Similarity NPD6422 Discontinued
0.6146 Remote Similarity NPD5279 Phase 3
0.6122 Remote Similarity NPD4753 Phase 2
0.6117 Remote Similarity NPD8029 Clinical (unspecified phase)
0.6111 Remote Similarity NPD3701 Clinical (unspecified phase)
0.6111 Remote Similarity NPD6686 Approved
0.6105 Remote Similarity NPD7338 Clinical (unspecified phase)
0.6091 Remote Similarity NPD8413 Clinical (unspecified phase)
0.6091 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6068 Remote Similarity NPD7604 Phase 2
0.6064 Remote Similarity NPD4223 Phase 3
0.6064 Remote Similarity NPD4221 Approved
0.6064 Remote Similarity NPD5209 Approved
0.6061 Remote Similarity NPD5207 Approved
0.6058 Remote Similarity NPD5286 Approved
0.6058 Remote Similarity NPD5285 Approved
0.6058 Remote Similarity NPD4696 Approved
0.6053 Remote Similarity NPD28 Approved
0.6053 Remote Similarity NPD29 Approved
0.6044 Remote Similarity NPD6932 Approved
0.6042 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6038 Remote Similarity NPD5738 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6912 Phase 3
0.602 Remote Similarity NPD5208 Approved
0.602 Remote Similarity NPD6672 Approved
0.602 Remote Similarity NPD4518 Approved
0.602 Remote Similarity NPD5737 Approved
0.6019 Remote Similarity NPD4755 Approved
0.6017 Remote Similarity NPD7492 Approved
0.6 Remote Similarity NPD3173 Approved
0.6 Remote Similarity NPD8034 Phase 2
0.6 Remote Similarity NPD6079 Approved
0.6 Remote Similarity NPD5223 Approved
0.6 Remote Similarity NPD6695 Phase 3
0.6 Remote Similarity NPD8035 Phase 2
0.6 Remote Similarity NPD5694 Approved
0.6 Remote Similarity NPD8039 Approved
0.598 Remote Similarity NPD4629 Approved
0.598 Remote Similarity NPD5210 Approved
0.5979 Remote Similarity NPD5690 Phase 2
0.5978 Remote Similarity NPD7145 Approved
0.5978 Remote Similarity NPD3732 Approved
0.5966 Remote Similarity NPD6336 Discontinued
0.5966 Remote Similarity NPD6616 Approved
0.5965 Remote Similarity NPD6317 Approved
0.596 Remote Similarity NPD6904 Approved
0.596 Remote Similarity NPD6080 Approved
0.596 Remote Similarity NPD5328 Approved
0.596 Remote Similarity NPD6673 Approved
0.5948 Remote Similarity NPD6054 Approved
0.5943 Remote Similarity NPD4633 Approved
0.5943 Remote Similarity NPD7632 Discontinued
0.5943 Remote Similarity NPD5211 Phase 2
0.5943 Remote Similarity NPD5224 Approved
0.5943 Remote Similarity NPD5225 Approved
0.5943 Remote Similarity NPD5226 Approved
0.5941 Remote Similarity NPD5781 Clinical (unspecified phase)
0.5938 Remote Similarity NPD4197 Approved
0.5938 Remote Similarity NPD3668 Phase 3
0.5917 Remote Similarity NPD7078 Approved
0.5914 Remote Similarity NPD6929 Approved
0.5913 Remote Similarity NPD6313 Approved
0.5913 Remote Similarity NPD6314 Approved
0.5913 Remote Similarity NPD6335 Approved
0.5909 Remote Similarity NPD7144 Approved
0.5909 Remote Similarity NPD7143 Approved
0.5905 Remote Similarity NPD4700 Approved
0.59 Remote Similarity NPD3672 Approved
0.59 Remote Similarity NPD3673 Approved
0.59 Remote Similarity NPD5692 Phase 3
0.5897 Remote Similarity NPD6015 Approved
0.5897 Remote Similarity NPD6016 Approved
0.5895 Remote Similarity NPD4752 Clinical (unspecified phase)
0.5889 Remote Similarity NPD6924 Approved
0.5889 Remote Similarity NPD6926 Approved
0.5888 Remote Similarity NPD5175 Approved
0.5888 Remote Similarity NPD5174 Approved
0.5882 Remote Similarity NPD7748 Approved
0.5877 Remote Similarity NPD6274 Approved
0.5876 Remote Similarity NPD5329 Approved

Structure

External Identifiers

PubChem CID   11452880
ChEMBL   CHEMBL467616
ZINC  

Physicochemical Properties

Molecular Weight:  420.12
ALogP:  -0.5576
MLogP:  3
XLogP:  5.406
# Rotatable Bonds:  4
Polar Surface Area:  46.53
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  2
# Heavy Atoms:  22

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs