Natural Product: NPC17935

Natural Product ID:  NPC17935
Common Name:   8Alpha-Acetoxy-5Alpha-Hydroxy-7-Oxodecan-10-Olide
IUPAC Name:   [(2R,4R,7S)-7-hydroxy-2-methyl-5,10-dioxooxecan-4-yl] acetate
Synonyms:  
Molecular Formula:   C12H18O6
Standard InCHIKey:  VSNVWTRDWTULGY-POZPLHJXSA-N
Standard InCHI:  InChI=1S/C12H18O6/c1-7-5-11(18-8(2)13)10(15)6-9(14)3-4-12(16)17-7/h7,9,11,14H,3-6H2,1-2H3/t7-,9+,11-/m1/s1
Canonical SMILES:  O[C@H]1CCC(=O)O[C@@H](C[C@H](C(=O)C1)OC(=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
NPO32626 phomopsis sp. Species Valsaceae Eukaryota PMID[18336005]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT6149 Organism Penicillium islandicum Penicillium islandicum MIC = 250 ug/ml 19715320
NPT6148 Organism Helminthosporium maydis Helminthosporium maydis MIC = 500 ug/ml 19715320
NPT6150 Organism Ophiostoma minus Ophiostoma minus MIC > 500 ug/ml 19715320
NPT21 Organism Aspergillus niger Aspergillus niger MIC = 125 ug/ml 19715320
NPT635 Organism Botryotinia fuckeliana Botryotinia fuckeliana MIC = 250 ug/ml 19715320
NPT3660 Organism Fusarium avenaceum Fusarium avenaceum MIC > 500 ug/ml 19715320
NPT2781 Organism Fusarium moniliforme Gibberella moniliformis MIC > 500 ug/ml 19715320

  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 NPC17935 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
0.8 Intermediate Similarity NPC200618
0.8 Intermediate Similarity NPC131770
0.7719 Intermediate Similarity NPC90904
0.75 Intermediate Similarity NPC23155
0.75 Intermediate Similarity NPC320588
0.75 Intermediate Similarity NPC469937
0.75 Intermediate Similarity NPC53463
0.7368 Intermediate Similarity NPC106872
0.7288 Intermediate Similarity NPC287811
0.7273 Intermediate Similarity NPC76051
0.7206 Intermediate Similarity NPC469925
0.7193 Intermediate Similarity NPC328497
0.7193 Intermediate Similarity NPC324004
0.7164 Intermediate Similarity NPC476330
0.7018 Intermediate Similarity NPC30195
0.7018 Intermediate Similarity NPC63182
0.7018 Intermediate Similarity NPC12438
0.7018 Intermediate Similarity NPC52700
0.7018 Intermediate Similarity NPC145045
0.7018 Intermediate Similarity NPC105329
0.7015 Intermediate Similarity NPC314103
0.6949 Remote Similarity NPC304162
0.6923 Remote Similarity NPC475821
0.6923 Remote Similarity NPC470363
0.6909 Remote Similarity NPC53541
0.6885 Remote Similarity NPC277878
0.6875 Remote Similarity NPC220922
0.6875 Remote Similarity NPC293692
0.6842 Remote Similarity NPC287231
0.6842 Remote Similarity NPC273545
0.6842 Remote Similarity NPC47363
0.6842 Remote Similarity NPC469781
0.6833 Remote Similarity NPC55678
0.6774 Remote Similarity NPC196612
0.6757 Remote Similarity NPC179922
0.6727 Remote Similarity NPC256163
0.6727 Remote Similarity NPC250028
0.6727 Remote Similarity NPC149299
0.6727 Remote Similarity NPC40597
0.6721 Remote Similarity NPC100096
0.6667 Remote Similarity NPC26253
0.6667 Remote Similarity NPC42526
0.6667 Remote Similarity NPC74845
0.6618 Remote Similarity NPC258690
0.6618 Remote Similarity NPC474552
0.6618 Remote Similarity NPC317651
0.6618 Remote Similarity NPC325773
0.661 Remote Similarity NPC326957
0.6545 Remote Similarity NPC80234
0.6545 Remote Similarity NPC279026
0.6545 Remote Similarity NPC118968
0.6545 Remote Similarity NPC301696
0.6545 Remote Similarity NPC31551
0.6545 Remote Similarity NPC183424
0.6545 Remote Similarity NPC154186
0.6545 Remote Similarity NPC301585
0.6545 Remote Similarity NPC261080
0.6545 Remote Similarity NPC294085
0.6545 Remote Similarity NPC214610
0.6545 Remote Similarity NPC201844
0.6545 Remote Similarity NPC223249
0.6545 Remote Similarity NPC14227
0.6545 Remote Similarity NPC219536
0.6545 Remote Similarity NPC113928
0.65 Remote Similarity NPC172086
0.65 Remote Similarity NPC247546
0.6491 Remote Similarity NPC289686
0.6491 Remote Similarity NPC176500
0.6491 Remote Similarity NPC236579
0.6491 Remote Similarity NPC203531
0.6479 Remote Similarity NPC32148
0.6479 Remote Similarity NPC206601
0.6447 Remote Similarity NPC49392
0.6447 Remote Similarity NPC190400
0.6429 Remote Similarity NPC306805
0.6429 Remote Similarity NPC469926
0.6429 Remote Similarity NPC165533
0.6429 Remote Similarity NPC215987
0.6418 Remote Similarity NPC226602
0.6418 Remote Similarity NPC472019
0.6418 Remote Similarity NPC472020
0.6406 Remote Similarity NPC289979
0.64 Remote Similarity NPC317212
0.6389 Remote Similarity NPC319007
0.6364 Remote Similarity NPC54980
0.6364 Remote Similarity NPC201622
0.6364 Remote Similarity NPC108014
0.6364 Remote Similarity NPC305660
0.6364 Remote Similarity NPC22903
0.6364 Remote Similarity NPC268826
0.6364 Remote Similarity NPC474003
0.6338 Remote Similarity NPC241949
0.6324 Remote Similarity NPC472021
0.6324 Remote Similarity NPC320296
0.6316 Remote Similarity NPC35661
0.6316 Remote Similarity NPC196924
0.6316 Remote Similarity NPC209970
0.6316 Remote Similarity NPC171736
0.6316 Remote Similarity NPC149184
0.6316 Remote Similarity NPC228411
0.6316 Remote Similarity NPC307783
0.6316 Remote Similarity NPC216630
0.6301 Remote Similarity NPC285003
0.6301 Remote Similarity NPC241265
0.6301 Remote Similarity NPC470436
0.6269 Remote Similarity NPC179624
0.625 Remote Similarity NPC104537
0.625 Remote Similarity NPC330426
0.625 Remote Similarity NPC148192
0.625 Remote Similarity NPC127091
0.625 Remote Similarity NPC271921
0.625 Remote Similarity NPC22101
0.6232 Remote Similarity NPC469923
0.6216 Remote Similarity NPC321873
0.6212 Remote Similarity NPC198377
0.6207 Remote Similarity NPC313565
0.6207 Remote Similarity NPC259982
0.6207 Remote Similarity NPC228782
0.6207 Remote Similarity NPC67462
0.619 Remote Similarity NPC314084
0.6182 Remote Similarity NPC109026
0.6176 Remote Similarity NPC469924
0.6176 Remote Similarity NPC323945
0.6164 Remote Similarity NPC50228
0.6164 Remote Similarity NPC48218
0.6164 Remote Similarity NPC141481
0.6164 Remote Similarity NPC97736
0.6164 Remote Similarity NPC82315
0.6164 Remote Similarity NPC473559
0.6164 Remote Similarity NPC324981
0.6163 Remote Similarity NPC65359
0.6154 Remote Similarity NPC122847
0.614 Remote Similarity NPC28598
0.614 Remote Similarity NPC12156
0.614 Remote Similarity NPC161097
0.614 Remote Similarity NPC320331
0.6133 Remote Similarity NPC185419
0.6133 Remote Similarity NPC320119
0.6133 Remote Similarity NPC470243
0.6133 Remote Similarity NPC96322
0.6133 Remote Similarity NPC184550
0.6133 Remote Similarity NPC477641
0.6133 Remote Similarity NPC477643
0.6133 Remote Similarity NPC474590
0.6133 Remote Similarity NPC320865
0.6129 Remote Similarity NPC46254
0.6102 Remote Similarity NPC255837
0.6102 Remote Similarity NPC317128
0.6102 Remote Similarity NPC19305
0.6092 Remote Similarity NPC469627
0.6081 Remote Similarity NPC211428
0.6081 Remote Similarity NPC477642
0.6081 Remote Similarity NPC28526
0.6076 Remote Similarity NPC473984
0.6076 Remote Similarity NPC470014
0.6071 Remote Similarity NPC120395
0.6053 Remote Similarity NPC470435
0.6053 Remote Similarity NPC473699
0.6053 Remote Similarity NPC291228
0.6053 Remote Similarity NPC474100
0.6053 Remote Similarity NPC475260
0.6053 Remote Similarity NPC163812
0.6053 Remote Similarity NPC475232
0.6053 Remote Similarity NPC206823
0.6053 Remote Similarity NPC474755
0.6053 Remote Similarity NPC144419
0.6053 Remote Similarity NPC51249
0.6053 Remote Similarity NPC308096
0.6053 Remote Similarity NPC473775
0.6053 Remote Similarity NPC326024
0.6034 Remote Similarity NPC97444
0.6034 Remote Similarity NPC121018
0.6034 Remote Similarity NPC24751
0.6034 Remote Similarity NPC192402
0.6034 Remote Similarity NPC19044
0.6034 Remote Similarity NPC474361
0.6034 Remote Similarity NPC100742
0.6032 Remote Similarity NPC305182
0.6029 Remote Similarity NPC322855
0.6029 Remote Similarity NPC320032
0.6027 Remote Similarity NPC473829
0.6027 Remote Similarity NPC475443
0.6026 Remote Similarity NPC474020
0.6024 Remote Similarity NPC475689
0.6023 Remote Similarity NPC475302
0.6 Remote Similarity NPC155263
0.6 Remote Similarity NPC242655
0.6 Remote Similarity NPC80396
0.6 Remote Similarity NPC323401
0.6 Remote Similarity NPC38891
0.6 Remote Similarity NPC197333
0.6 Remote Similarity NPC471738
0.6 Remote Similarity NPC201939
0.6 Remote Similarity NPC55023
0.6 Remote Similarity NPC8219
0.6 Remote Similarity NPC470268
0.6 Remote Similarity NPC476660
0.6 Remote Similarity NPC19841
0.6 Remote Similarity NPC270088
0.6 Remote Similarity NPC275243

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC17935 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
0.75 Intermediate Similarity NPD3728 Approved
0.75 Intermediate Similarity NPD3730 Approved
0.7258 Intermediate Similarity NPD73 Approved
0.6885 Remote Similarity NPD9010 Approved
0.6885 Remote Similarity NPD66 Approved
0.6885 Remote Similarity NPD72 Approved
0.6885 Remote Similarity NPD8960 Approved
0.6885 Remote Similarity NPD9011 Approved
0.6885 Remote Similarity NPD9008 Approved
0.6885 Remote Similarity NPD9009 Approved
0.6885 Remote Similarity NPD65 Approved
0.6885 Remote Similarity NPD64 Approved
0.6885 Remote Similarity NPD9007 Approved
0.6875 Remote Similarity NPD8959 Approved
0.6842 Remote Similarity NPD2699 Approved
0.678 Remote Similarity NPD6125 Clinical (unspecified phase)
0.6667 Remote Similarity NPD3729 Clinical (unspecified phase)
0.6618 Remote Similarity NPD8961 Approved
0.6545 Remote Similarity NPD9655 Approved
0.6545 Remote Similarity NPD633 Phase 3
0.6545 Remote Similarity NPD9448 Phase 2
0.65 Remote Similarity NPD9005 Phase 3
0.65 Remote Similarity NPD9003 Clinical (unspecified phase)
0.65 Remote Similarity NPD9004 Approved
0.6479 Remote Similarity NPD896 Approved
0.6479 Remote Similarity NPD898 Approved
0.6479 Remote Similarity NPD897 Approved
0.6316 Remote Similarity NPD2270 Approved
0.619 Remote Similarity NPD9002 Approved
0.619 Remote Similarity NPD9001 Clinical (unspecified phase)
0.6133 Remote Similarity NPD2256 Clinical (unspecified phase)
0.6104 Remote Similarity NPD11 Approved
0.6104 Remote Similarity NPD376 Approved
0.6056 Remote Similarity NPD3197 Phase 1
0.6034 Remote Similarity NPD8605 Approved
0.6034 Remote Similarity NPD8600 Approved
0.6034 Remote Similarity NPD8598 Approved
0.6034 Remote Similarity NPD8602 Approved
0.6034 Remote Similarity NPD8604 Approved
0.6034 Remote Similarity NPD8599 Approved
0.6034 Remote Similarity NPD8603 Approved
0.6034 Remote Similarity NPD8601 Approved
0.6 Remote Similarity NPD3199 Clinical (unspecified phase)
0.6 Remote Similarity NPD7329 Approved
0.5972 Remote Similarity NPD9496 Clinical (unspecified phase)
0.5968 Remote Similarity NPD2266 Phase 2
0.5952 Remote Similarity NPD619 Phase 3
0.5946 Remote Similarity NPD229 Approved
0.5942 Remote Similarity NPD3198 Approved
0.5938 Remote Similarity NPD9638 Phase 2
0.5909 Remote Similarity NPD615 Clinical (unspecified phase)
0.5902 Remote Similarity NPD634 Phase 3
0.589 Remote Similarity NPD3704 Approved
0.5875 Remote Similarity NPD4802 Phase 2
0.5875 Remote Similarity NPD4238 Approved
0.5873 Remote Similarity NPD8964 Approved
0.5833 Remote Similarity NPD7909 Approved
0.5789 Remote Similarity NPD3206 Approved
0.5747 Remote Similarity NPD618 Clinical (unspecified phase)
0.5663 Remote Similarity NPD5369 Approved
0.5641 Remote Similarity NPD3181 Approved

Structure

External Identifiers

PubChem CID   24862055
ChEMBL   CHEMBL467139
ZINC  

Physicochemical Properties

Molecular Weight:  258.11
ALogP:  -1.6094
MLogP:  2.12
XLogP:  -0.024
# Rotatable Bonds:  5
Polar Surface Area:  89.9
# H-Bond Aceptor:  6
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  18

Download Data

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Similar NPs/Drugs