Natural Product: NPC316123

Natural Product ID:  NPC316123
Common Name:   5-(3,4-Dihydroxy-5-Hydroxymethyl-Tetrahydro-Furan-2-Yl)-[1,3]Oxazine-2,4-Dione
IUPAC Name:   5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-oxazine-2,4-dione
Synonyms:  
Molecular Formula:   C9H11NO7
Standard InCHIKey:  REFHNSOTFKKRAI-GBNDHIKLSA-N
Standard InCHI:  InChI=1S/C9H11NO7/c11-1-4-5(12)6(13)7(17-4)3-2-16-9(15)10-8(3)14/h2,4-7,11-13H,1H2,(H,10,14,15)/t4-,5-,6-,7+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)c1coc(=O)nc1O
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
NPO25111 Streptomyces tanashiensis Species Streptomycetaceae Bacteria StreptomeDB*
NPO13952.10 Streptomyces lavendulae var. trehalostaticus 2882 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT137 Cell Line L1210 Mus musculus IC50 = 300 nM 6276541
NPT165 Cell Line HeLa Homo sapiens IC50 = 500 nM 6276541
NPT137 Cell Line L1210 Mus musculus Inhibition = 5 % 6276541

  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 NPC316123 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
0.6279 Remote Similarity NPC474280
0.625 Remote Similarity NPC475711
0.618 Remote Similarity NPC248775
0.6111 Remote Similarity NPC180725
0.6111 Remote Similarity NPC470148
0.6111 Remote Similarity NPC470149
0.6095 Remote Similarity NPC154601
0.6067 Remote Similarity NPC474026
0.6067 Remote Similarity NPC474278
0.6044 Remote Similarity NPC133226
0.6044 Remote Similarity NPC470147
0.6042 Remote Similarity NPC171116
0.6022 Remote Similarity NPC112842
0.6022 Remote Similarity NPC71339
0.6 Remote Similarity NPC163352
0.6 Remote Similarity NPC210456
0.5979 Remote Similarity NPC133450
0.5941 Remote Similarity NPC175614
0.5934 Remote Similarity NPC475210
0.5918 Remote Similarity NPC477865
0.5918 Remote Similarity NPC477866
0.5918 Remote Similarity NPC177668
0.5914 Remote Similarity NPC103171
0.5904 Remote Similarity NPC473722
0.5904 Remote Similarity NPC470123
0.59 Remote Similarity NPC35269
0.59 Remote Similarity NPC256570
0.59 Remote Similarity NPC192066
0.59 Remote Similarity NPC262312
0.59 Remote Similarity NPC70323
0.59 Remote Similarity NPC23454
0.59 Remote Similarity NPC17290
0.59 Remote Similarity NPC3568
0.5895 Remote Similarity NPC471379
0.5895 Remote Similarity NPC196911
0.5882 Remote Similarity NPC238223
0.5818 Remote Similarity NPC29501
0.5806 Remote Similarity NPC118116
0.5806 Remote Similarity NPC77003
0.5802 Remote Similarity NPC155457
0.5795 Remote Similarity NPC143576
0.5794 Remote Similarity NPC271269
0.5789 Remote Similarity NPC163093
0.5784 Remote Similarity NPC183449
0.5784 Remote Similarity NPC197294
0.5784 Remote Similarity NPC8098
0.5784 Remote Similarity NPC45313
0.5773 Remote Similarity NPC178215
0.5765 Remote Similarity NPC132286
0.5761 Remote Similarity NPC1180
0.5761 Remote Similarity NPC291260
0.5761 Remote Similarity NPC86971
0.5761 Remote Similarity NPC476701
0.5758 Remote Similarity NPC474232
0.5758 Remote Similarity NPC242503
0.5758 Remote Similarity NPC74672
0.5758 Remote Similarity NPC139782
0.5758 Remote Similarity NPC43074
0.5758 Remote Similarity NPC209047
0.5758 Remote Similarity NPC3952
0.5747 Remote Similarity NPC202011
0.5745 Remote Similarity NPC474252
0.5743 Remote Similarity NPC256368
0.5741 Remote Similarity NPC251330
0.573 Remote Similarity NPC24590
0.5729 Remote Similarity NPC82795
0.5729 Remote Similarity NPC120398
0.5729 Remote Similarity NPC471223
0.5729 Remote Similarity NPC107986
0.5729 Remote Similarity NPC73166
0.5729 Remote Similarity NPC182383
0.5729 Remote Similarity NPC66346
0.5729 Remote Similarity NPC471567
0.5729 Remote Similarity NPC1083
0.5729 Remote Similarity NPC21469
0.5729 Remote Similarity NPC103284
0.5729 Remote Similarity NPC477013
0.5729 Remote Similarity NPC223871
0.5729 Remote Similarity NPC231009
0.5729 Remote Similarity NPC132496
0.5729 Remote Similarity NPC283085
0.5729 Remote Similarity NPC67081
0.5729 Remote Similarity NPC286338
0.5729 Remote Similarity NPC473478
0.5729 Remote Similarity NPC477014
0.5729 Remote Similarity NPC110710
0.5729 Remote Similarity NPC473651
0.5729 Remote Similarity NPC473669
0.5714 Remote Similarity NPC473715
0.5714 Remote Similarity NPC20673
0.5714 Remote Similarity NPC40376
0.5714 Remote Similarity NPC20339
0.5714 Remote Similarity NPC48338
0.5714 Remote Similarity NPC250836
0.5714 Remote Similarity NPC21208
0.5714 Remote Similarity NPC280621
0.5714 Remote Similarity NPC233551
0.57 Remote Similarity NPC111567
0.57 Remote Similarity NPC473950
0.57 Remote Similarity NPC6099
0.57 Remote Similarity NPC473604
0.57 Remote Similarity NPC303230
0.57 Remote Similarity NPC122057
0.57 Remote Similarity NPC263545
0.57 Remote Similarity NPC114345
0.57 Remote Similarity NPC282705
0.57 Remote Similarity NPC182632
0.57 Remote Similarity NPC475125
0.57 Remote Similarity NPC186840
0.57 Remote Similarity NPC473321
0.57 Remote Similarity NPC309898
0.57 Remote Similarity NPC473581
0.57 Remote Similarity NPC15851
0.57 Remote Similarity NPC327760
0.5698 Remote Similarity NPC473294
0.5698 Remote Similarity NPC471472
0.5686 Remote Similarity NPC6765
0.5686 Remote Similarity NPC93869
0.5684 Remote Similarity NPC239308
0.5684 Remote Similarity NPC116543
0.5684 Remote Similarity NPC5958
0.5684 Remote Similarity NPC228638
0.5682 Remote Similarity NPC477086
0.5682 Remote Similarity NPC477087
0.567 Remote Similarity NPC473687
0.567 Remote Similarity NPC240695
0.567 Remote Similarity NPC477015
0.567 Remote Similarity NPC308412
0.567 Remote Similarity NPC62118
0.567 Remote Similarity NPC107717
0.567 Remote Similarity NPC171174
0.567 Remote Similarity NPC112685
0.567 Remote Similarity NPC134885
0.567 Remote Similarity NPC134865
0.567 Remote Similarity NPC219498
0.567 Remote Similarity NPC47937
0.567 Remote Similarity NPC478112
0.567 Remote Similarity NPC279267
0.567 Remote Similarity NPC475684
0.567 Remote Similarity NPC475581
0.567 Remote Similarity NPC134807
0.567 Remote Similarity NPC142117
0.567 Remote Similarity NPC103523
0.567 Remote Similarity NPC210218
0.567 Remote Similarity NPC311163
0.567 Remote Similarity NPC204686
0.567 Remote Similarity NPC114694
0.567 Remote Similarity NPC69082
0.567 Remote Similarity NPC232555
0.567 Remote Similarity NPC231096
0.5657 Remote Similarity NPC299527
0.5657 Remote Similarity NPC139418
0.5647 Remote Similarity NPC201356
0.5647 Remote Similarity NPC276299
0.5644 Remote Similarity NPC475098
0.5644 Remote Similarity NPC475912
0.5644 Remote Similarity NPC273579
0.5644 Remote Similarity NPC295204
0.5644 Remote Similarity NPC162205
0.5644 Remote Similarity NPC288240
0.5644 Remote Similarity NPC189651
0.5638 Remote Similarity NPC297440
0.5632 Remote Similarity NPC472947
0.5631 Remote Similarity NPC473333
0.5631 Remote Similarity NPC189629
0.5631 Remote Similarity NPC161293
0.5625 Remote Similarity NPC32676
0.5625 Remote Similarity NPC220167
0.5625 Remote Similarity NPC30915
0.5625 Remote Similarity NPC474780
0.5625 Remote Similarity NPC478024
0.5625 Remote Similarity NPC156804
0.5625 Remote Similarity NPC136699
0.5619 Remote Similarity NPC244878
0.5618 Remote Similarity NPC185186
0.5618 Remote Similarity NPC477085
0.5618 Remote Similarity NPC327383
0.5618 Remote Similarity NPC314678
0.5618 Remote Similarity NPC132938
0.5612 Remote Similarity NPC44538
0.5612 Remote Similarity NPC186148
0.5604 Remote Similarity NPC256720
0.5604 Remote Similarity NPC301207
0.5604 Remote Similarity NPC236228
0.5604 Remote Similarity NPC329626
0.5604 Remote Similarity NPC209113
0.5604 Remote Similarity NPC229655
0.5604 Remote Similarity NPC127118
0.5604 Remote Similarity NPC293223
0.56 Remote Similarity NPC239517
0.56 Remote Similarity NPC471378
0.56 Remote Similarity NPC307699
0.56 Remote Similarity NPC327344
0.56 Remote Similarity NPC117596
0.56 Remote Similarity NPC474323
0.56 Remote Similarity NPC473904
0.56 Remote Similarity NPC473619
0.56 Remote Similarity NPC312471
0.56 Remote Similarity NPC118078
0.56 Remote Similarity NPC206614

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316123 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
0.6042 Remote Similarity NPD841 Approved
0.6022 Remote Similarity NPD280 Approved
0.5976 Remote Similarity NPD277 Approved
0.596 Remote Similarity NPD501 Phase 1
0.5941 Remote Similarity NPD502 Approved
0.5895 Remote Similarity NPD240 Phase 3
0.5851 Remote Similarity NPD239 Phase 2
0.5851 Remote Similarity NPD238 Clinical (unspecified phase)
0.5851 Remote Similarity NPD205 Approved
0.5758 Remote Similarity NPD8522 Clinical (unspecified phase)
0.5729 Remote Similarity NPD170 Approved
0.5728 Remote Similarity NPD192 Phase 2
0.5714 Remote Similarity NPD755 Phase 3

Structure

External Identifiers

PubChem CID   161746
ChEMBL   CHEMBL3144030
ZINC  

Physicochemical Properties

Molecular Weight:  245.05
ALogP:  -2.2743
MLogP:  1.57
XLogP:  -1.611
# Rotatable Bonds:  6
Polar Surface Area:  128.81
# H-Bond Aceptor:  8
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  17

Download Data

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