Natural Product: NPC315170

Natural Product ID:  NPC315170
Common Name:   Salbostatin
IUPAC Name:   6-[[4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Synonyms:  
Molecular Formula:   C13H23NO8
Standard InCHIKey:  OCTNNXHKAOLDJL-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H23NO8/c15-2-5-1-6(10(18)13(21)9(5)17)14-7-4-22-8(3-16)12(20)11(7)19/h1,6-21H,2-4H2
Canonical SMILES:  OCC1OCC(C(C1O)O)NC1C=C(CO)C(C(C1O)O)O
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
NPO24126.4 Streptomyces albus atcc 21838 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT5849 Individual Protein Trehalase Homo sapiens Ki = 180 nM 10.1016/0960-894X(95)00055-X

  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 NPC315170 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
0.835 Intermediate Similarity NPC319537
0.835 Intermediate Similarity NPC313272
0.8302 Intermediate Similarity NPC314306
0.8022 Intermediate Similarity NPC314762
0.7965 Intermediate Similarity NPC20035
0.6917 Remote Similarity NPC478138
0.66 Remote Similarity NPC36927
0.66 Remote Similarity NPC271772
0.6535 Remote Similarity NPC165119
0.6525 Remote Similarity NPC241597
0.646 Remote Similarity NPC55336
0.6452 Remote Similarity NPC471418
0.6442 Remote Similarity NPC306838
0.6412 Remote Similarity NPC297058
0.64 Remote Similarity NPC70574
0.6383 Remote Similarity NPC268922
0.6327 Remote Similarity NPC3094
0.6304 Remote Similarity NPC198341
0.6304 Remote Similarity NPC471780
0.6304 Remote Similarity NPC471892
0.6304 Remote Similarity NPC75435
0.6304 Remote Similarity NPC223386
0.6304 Remote Similarity NPC142290
0.63 Remote Similarity NPC98750
0.6293 Remote Similarity NPC315426
0.6289 Remote Similarity NPC26932
0.6281 Remote Similarity NPC28280
0.6281 Remote Similarity NPC304646
0.625 Remote Similarity NPC299603
0.625 Remote Similarity NPC476694
0.625 Remote Similarity NPC476695
0.625 Remote Similarity NPC255535
0.625 Remote Similarity NPC28959
0.625 Remote Similarity NPC476696
0.625 Remote Similarity NPC137554
0.625 Remote Similarity NPC285014
0.6238 Remote Similarity NPC100204
0.6238 Remote Similarity NPC83248
0.6237 Remote Similarity NPC303798
0.6237 Remote Similarity NPC315980
0.6237 Remote Similarity NPC286851
0.6224 Remote Similarity NPC24590
0.6186 Remote Similarity NPC474468
0.6182 Remote Similarity NPC256570
0.6182 Remote Similarity NPC3568
0.6182 Remote Similarity NPC192066
0.6182 Remote Similarity NPC23454
0.6182 Remote Similarity NPC35269
0.6182 Remote Similarity NPC17290
0.6182 Remote Similarity NPC262312
0.6182 Remote Similarity NPC70323
0.6146 Remote Similarity NPC473710
0.6146 Remote Similarity NPC475694
0.6087 Remote Similarity NPC306462
0.6087 Remote Similarity NPC69669
0.6087 Remote Similarity NPC218150
0.6087 Remote Similarity NPC2432
0.6087 Remote Similarity NPC22774
0.6087 Remote Similarity NPC150680
0.6083 Remote Similarity NPC29501
0.6071 Remote Similarity NPC8098
0.6071 Remote Similarity NPC197294
0.6071 Remote Similarity NPC183449
0.6071 Remote Similarity NPC45313
0.6064 Remote Similarity NPC77191
0.6064 Remote Similarity NPC69798
0.6064 Remote Similarity NPC473952
0.6064 Remote Similarity NPC101746
0.6064 Remote Similarity NPC116377
0.6055 Remote Similarity NPC209047
0.6055 Remote Similarity NPC74672
0.6055 Remote Similarity NPC242503
0.6055 Remote Similarity NPC43074
0.6055 Remote Similarity NPC139782
0.6019 Remote Similarity NPC79367
0.6016 Remote Similarity NPC296686
0.6 Remote Similarity NPC15851
0.6 Remote Similarity NPC473581
0.6 Remote Similarity NPC186840
0.6 Remote Similarity NPC473604
0.6 Remote Similarity NPC228638
0.6 Remote Similarity NPC475125
0.6 Remote Similarity NPC182632
0.6 Remote Similarity NPC140327
0.6 Remote Similarity NPC212008
0.6 Remote Similarity NPC62293
0.6 Remote Similarity NPC282705
0.6 Remote Similarity NPC61894
0.6 Remote Similarity NPC51055
0.6 Remote Similarity NPC475603
0.6 Remote Similarity NPC111567
0.6 Remote Similarity NPC309898
0.6 Remote Similarity NPC473950
0.6 Remote Similarity NPC263545
0.5984 Remote Similarity NPC469943
0.5983 Remote Similarity NPC477000
0.5983 Remote Similarity NPC477001
0.5982 Remote Similarity NPC471635
0.5982 Remote Similarity NPC25033
0.5982 Remote Similarity NPC119225
0.5982 Remote Similarity NPC476261
0.5982 Remote Similarity NPC470382
0.598 Remote Similarity NPC473972
0.598 Remote Similarity NPC13823
0.598 Remote Similarity NPC475363
0.598 Remote Similarity NPC68119
0.598 Remote Similarity NPC473971
0.598 Remote Similarity NPC150557
0.5948 Remote Similarity NPC473289
0.5932 Remote Similarity NPC475918
0.5914 Remote Similarity NPC47333
0.5893 Remote Similarity NPC158445
0.5893 Remote Similarity NPC156782
0.5893 Remote Similarity NPC54961
0.5893 Remote Similarity NPC157353
0.5893 Remote Similarity NPC282088
0.5891 Remote Similarity NPC36254
0.5865 Remote Similarity NPC15249
0.5865 Remote Similarity NPC207657
0.5865 Remote Similarity NPC25455
0.5865 Remote Similarity NPC471420
0.5859 Remote Similarity NPC273185
0.5851 Remote Similarity NPC163134
0.5851 Remote Similarity NPC471419
0.5847 Remote Similarity NPC74035
0.5846 Remote Similarity NPC471263
0.5833 Remote Similarity NPC291650
0.5833 Remote Similarity NPC129100
0.5833 Remote Similarity NPC322801
0.5821 Remote Similarity NPC122819
0.5812 Remote Similarity NPC477198
0.5802 Remote Similarity NPC96010
0.5802 Remote Similarity NPC317654
0.5798 Remote Similarity NPC93179
0.5794 Remote Similarity NPC235625
0.5789 Remote Similarity NPC478139
0.5789 Remote Similarity NPC475503
0.5789 Remote Similarity NPC474928
0.578 Remote Similarity NPC470282
0.5778 Remote Similarity NPC150057
0.5778 Remote Similarity NPC147753
0.5776 Remote Similarity NPC471628
0.5776 Remote Similarity NPC315036
0.5776 Remote Similarity NPC56298
0.5773 Remote Similarity NPC126664
0.5773 Remote Similarity NPC34291
0.5769 Remote Similarity NPC318258
0.5763 Remote Similarity NPC173690
0.5763 Remote Similarity NPC6271
0.5763 Remote Similarity NPC279833
0.5763 Remote Similarity NPC80439
0.5761 Remote Similarity NPC193593
0.5761 Remote Similarity NPC143809
0.5761 Remote Similarity NPC290106
0.5761 Remote Similarity NPC76726
0.576 Remote Similarity NPC313813
0.5743 Remote Similarity NPC78562
0.5743 Remote Similarity NPC473588
0.5738 Remote Similarity NPC251122
0.5727 Remote Similarity NPC316186
0.5725 Remote Similarity NPC237286
0.5714 Remote Similarity NPC313962
0.5714 Remote Similarity NPC44514
0.5714 Remote Similarity NPC64168
0.5714 Remote Similarity NPC75523
0.5714 Remote Similarity NPC23721
0.5691 Remote Similarity NPC168758
0.5691 Remote Similarity NPC181510
0.5691 Remote Similarity NPC47857
0.5678 Remote Similarity NPC251884
0.5678 Remote Similarity NPC176012
0.5672 Remote Similarity NPC477988
0.567 Remote Similarity NPC113224
0.5667 Remote Similarity NPC201128
0.5662 Remote Similarity NPC120420
0.5656 Remote Similarity NPC85001
0.5656 Remote Similarity NPC147835
0.5656 Remote Similarity NPC253645
0.5656 Remote Similarity NPC95920
0.5652 Remote Similarity NPC189629
0.5649 Remote Similarity NPC313342
0.5649 Remote Similarity NPC477985
0.5649 Remote Similarity NPC314512
0.5649 Remote Similarity NPC326386
0.5649 Remote Similarity NPC314451
0.5649 Remote Similarity NPC471087
0.5649 Remote Similarity NPC313333
0.5645 Remote Similarity NPC76660
0.5645 Remote Similarity NPC478024
0.5645 Remote Similarity NPC469466
0.5645 Remote Similarity NPC276995
0.5644 Remote Similarity NPC132938
0.5639 Remote Similarity NPC471086
0.5638 Remote Similarity NPC62507
0.5638 Remote Similarity NPC8087
0.563 Remote Similarity NPC475472
0.563 Remote Similarity NPC469895
0.563 Remote Similarity NPC473254
0.5625 Remote Similarity NPC313802
0.5625 Remote Similarity NPC314268

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC315170 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
0.8302 Intermediate Similarity NPD6429 Approved
0.8302 Intermediate Similarity NPD6430 Approved
0.6695 Remote Similarity NPD4832 Approved
0.6695 Remote Similarity NPD4830 Approved
0.6695 Remote Similarity NPD4831 Approved
0.6525 Remote Similarity NPD3731 Phase 3
0.6371 Remote Similarity NPD6436 Phase 3
0.6346 Remote Similarity NPD394 Phase 3
0.6281 Remote Similarity NPD869 Approved
0.6174 Remote Similarity NPD1407 Approved
0.6087 Remote Similarity NPD9026 Phase 2
0.6087 Remote Similarity NPD9028 Phase 2
0.6087 Remote Similarity NPD244 Clinical (unspecified phase)
0.6087 Remote Similarity NPD9027 Phase 3
0.6087 Remote Similarity NPD9029 Phase 3
0.6055 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5969 Remote Similarity NPD4816 Clinical (unspecified phase)
0.587 Remote Similarity NPD9239 Approved
0.587 Remote Similarity NPD9240 Approved
0.5833 Remote Similarity NPD9031 Approved
0.5833 Remote Similarity NPD9033 Approved
0.5833 Remote Similarity NPD9032 Approved
0.5833 Remote Similarity NPD9030 Approved
0.5821 Remote Similarity NPD8449 Approved
0.5778 Remote Similarity NPD8450 Suspended
0.5776 Remote Similarity NPD4836 Approved
0.5776 Remote Similarity NPD4837 Approved
0.5776 Remote Similarity NPD4835 Approved
0.5776 Remote Similarity NPD4838 Approved
0.5773 Remote Similarity NPD9443 Clinical (unspecified phase)
0.5755 Remote Similarity NPD883 Phase 2
0.5755 Remote Similarity NPD882 Phase 2
0.5738 Remote Similarity NPD6421 Discontinued
0.5699 Remote Similarity NPD9455 Approved
0.5693 Remote Similarity NPD8387 Clinical (unspecified phase)
0.5683 Remote Similarity NPD823 Approved
0.5683 Remote Similarity NPD817 Approved
0.5649 Remote Similarity NPD8340 Approved
0.5649 Remote Similarity NPD8342 Approved
0.5649 Remote Similarity NPD8341 Approved
0.5649 Remote Similarity NPD8299 Approved
0.5648 Remote Similarity NPD9640 Clinical (unspecified phase)
0.5644 Remote Similarity NPD9034 Approved
0.5644 Remote Similarity NPD67 Phase 2
0.5638 Remote Similarity NPD393 Approved
0.563 Remote Similarity NPD2259 Approved
0.563 Remote Similarity NPD2258 Approved
0.563 Remote Similarity NPD8045 Clinical (unspecified phase)
0.562 Remote Similarity NPD8415 Approved
0.5603 Remote Similarity NPD4282 Approved

Structure

External Identifiers

PubChem CID   14678632
ChEMBL   CHEMBL145196
ZINC  

Physicochemical Properties

Molecular Weight:  321.14
ALogP:  -3.8928
MLogP:  1.9
XLogP:  -2.195
# Rotatable Bonds:  11
Polar Surface Area:  162.87
# H-Bond Aceptor:  9
# H-Bond Donor:  8
# Rings:  2
# Heavy Atoms:  22

Download Data

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