Natural Product: NPC314762

Natural Product ID:  NPC314762
Common Name:   Valienamine
IUPAC Name:   (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Synonyms:   Valienamine
Molecular Formula:   C7H13NO4
Standard InCHIKey:  XPHOBMULWMGEBA-VZFHVOOUSA-N
Standard InCHI:  InChI=1S/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1
Canonical SMILES:  OCC1=C[C@H](N)[C@@H]([C@H]([C@@H]1O)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
NPO13391 Streptomyces hygroscopicus Species Streptomycetaceae Bacteria StreptomeDB*
NPO13391.10 Streptomyces hygroscopicus subsp. limoneus Varieties Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT497 Individual Protein Maltase-glucoamylase Homo sapiens IC50 = 100000 nM 10.1016/0960-894X(96)00146-1
NPT497 Individual Protein Maltase-glucoamylase Homo sapiens IC50 = 340000 nM 3519969
NPT511 Individual Protein Sucrase-isomaltase Homo sapiens IC50 = 53000 nM 3519969
NPT2 Others Unspecified IC50 = 1000000 nM 21840710
NPT2 Others Unspecified IC50 = 780000 nM 21840710

  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 NPC314762 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
0.8022 Intermediate Similarity NPC315170
0.7449 Intermediate Similarity NPC319537
0.7449 Intermediate Similarity NPC313272
0.7087 Intermediate Similarity NPC314306
0.6905 Remote Similarity NPC51055
0.6905 Remote Similarity NPC140327
0.6905 Remote Similarity NPC212008
0.6905 Remote Similarity NPC62293
0.6883 Remote Similarity NPC47333
0.6705 Remote Similarity NPC207657
0.6588 Remote Similarity NPC24590
0.6543 Remote Similarity NPC113224
0.6518 Remote Similarity NPC20035
0.6512 Remote Similarity NPC3094
0.6375 Remote Similarity NPC55068
0.6322 Remote Similarity NPC244539
0.6304 Remote Similarity NPC228638
0.6296 Remote Similarity NPC471892
0.6296 Remote Similarity NPC75435
0.6296 Remote Similarity NPC223386
0.6296 Remote Similarity NPC142290
0.6296 Remote Similarity NPC471780
0.6296 Remote Similarity NPC198341
0.6292 Remote Similarity NPC68119
0.6292 Remote Similarity NPC13823
0.625 Remote Similarity NPC313762
0.622 Remote Similarity NPC303798
0.622 Remote Similarity NPC286851
0.6216 Remote Similarity NPC200772
0.618 Remote Similarity NPC141195
0.618 Remote Similarity NPC47844
0.6154 Remote Similarity NPC79367
0.6154 Remote Similarity NPC302569
0.6154 Remote Similarity NPC168308
0.6136 Remote Similarity NPC264417
0.6136 Remote Similarity NPC217095
0.6092 Remote Similarity NPC314678
0.6071 Remote Similarity NPC471418
0.6071 Remote Similarity NPC82337
0.6049 Remote Similarity NPC306462
0.6049 Remote Similarity NPC218150
0.6049 Remote Similarity NPC22774
0.6049 Remote Similarity NPC2432
0.6049 Remote Similarity NPC150680
0.6049 Remote Similarity NPC69669
0.6047 Remote Similarity NPC324638
0.6023 Remote Similarity NPC288086
0.6022 Remote Similarity NPC253364
0.6 Remote Similarity NPC268922
0.5952 Remote Similarity NPC326310
0.5948 Remote Similarity NPC478138
0.5914 Remote Similarity NPC221510
0.5914 Remote Similarity NPC159714
0.5909 Remote Similarity NPC26932
0.5895 Remote Similarity NPC477199
0.5882 Remote Similarity NPC163290
0.5862 Remote Similarity NPC476696
0.5862 Remote Similarity NPC285014
0.5862 Remote Similarity NPC28959
0.5862 Remote Similarity NPC476694
0.5862 Remote Similarity NPC299603
0.5862 Remote Similarity NPC255535
0.5862 Remote Similarity NPC476695
0.5862 Remote Similarity NPC137554
0.5849 Remote Similarity NPC55336
0.5842 Remote Similarity NPC262312
0.5842 Remote Similarity NPC192066
0.5842 Remote Similarity NPC3568
0.5842 Remote Similarity NPC17290
0.5842 Remote Similarity NPC35269
0.5842 Remote Similarity NPC70323
0.5842 Remote Similarity NPC256570
0.5842 Remote Similarity NPC23454
0.5833 Remote Similarity NPC77191
0.5833 Remote Similarity NPC69798
0.5833 Remote Similarity NPC116377
0.5833 Remote Similarity NPC101746
0.5833 Remote Similarity NPC473952
0.5833 Remote Similarity NPC473722
0.5833 Remote Similarity NPC315980
0.5823 Remote Similarity NPC8979
0.5816 Remote Similarity NPC316186
0.5806 Remote Similarity NPC236707
0.5765 Remote Similarity NPC291650
0.5765 Remote Similarity NPC311736
0.5765 Remote Similarity NPC314221
0.5765 Remote Similarity NPC60424
0.5765 Remote Similarity NPC322801
0.5765 Remote Similarity NPC129100
0.5761 Remote Similarity NPC473972
0.5761 Remote Similarity NPC473971
0.5761 Remote Similarity NPC475363
0.5747 Remote Similarity NPC103712
0.5747 Remote Similarity NPC291196
0.5745 Remote Similarity NPC471270
0.5729 Remote Similarity NPC469809
0.5729 Remote Similarity NPC316819
0.5728 Remote Similarity NPC197294
0.5728 Remote Similarity NPC8098
0.5728 Remote Similarity NPC45313
0.5728 Remote Similarity NPC183449
0.57 Remote Similarity NPC209047
0.57 Remote Similarity NPC139782
0.57 Remote Similarity NPC43074
0.57 Remote Similarity NPC242503
0.57 Remote Similarity NPC74672
0.5688 Remote Similarity NPC315426
0.5682 Remote Similarity NPC133700
0.5679 Remote Similarity NPC193593
0.5679 Remote Similarity NPC290106
0.5679 Remote Similarity NPC76726
0.5679 Remote Similarity NPC143809
0.566 Remote Similarity NPC316250
0.5657 Remote Similarity NPC34754
0.5648 Remote Similarity NPC74035
0.5647 Remote Similarity NPC287339
0.5644 Remote Similarity NPC475603
0.5644 Remote Similarity NPC282705
0.5644 Remote Similarity NPC263545
0.5644 Remote Similarity NPC186840
0.5644 Remote Similarity NPC309898
0.5644 Remote Similarity NPC61894
0.5644 Remote Similarity NPC473604
0.5644 Remote Similarity NPC473581
0.5644 Remote Similarity NPC15851
0.5644 Remote Similarity NPC475125
0.5644 Remote Similarity NPC111567
0.5644 Remote Similarity NPC473950
0.5644 Remote Similarity NPC182632
0.5641 Remote Similarity NPC474496
0.5638 Remote Similarity NPC95124
0.5638 Remote Similarity NPC471266
0.5625 Remote Similarity NPC29501
0.5612 Remote Similarity NPC258824
0.5612 Remote Similarity NPC470365
0.5612 Remote Similarity NPC255143

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC314762 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
0.7087 Intermediate Similarity NPD6430 Approved
0.7087 Intermediate Similarity NPD6429 Approved
0.6375 Remote Similarity NPD3210 Clinical (unspecified phase)
0.6049 Remote Similarity NPD9026 Phase 2
0.6049 Remote Similarity NPD9027 Phase 3
0.6049 Remote Similarity NPD9029 Phase 3
0.6049 Remote Similarity NPD9028 Phase 2
0.6047 Remote Similarity NPD3212 Clinical (unspecified phase)
0.5905 Remote Similarity NPD244 Clinical (unspecified phase)
0.5765 Remote Similarity NPD9033 Approved
0.5765 Remote Similarity NPD9031 Approved
0.5765 Remote Similarity NPD9032 Approved
0.5765 Remote Similarity NPD9030 Approved
0.57 Remote Similarity NPD8522 Clinical (unspecified phase)
0.567 Remote Similarity NPD394 Phase 3
0.561 Remote Similarity NPD9239 Approved
0.561 Remote Similarity NPD9240 Approved

Structure

External Identifiers

PubChem CID   193758
ChEMBL   CHEMBL1230806
ZINC  

Physicochemical Properties

Molecular Weight:  175.08
ALogP:  -2.5089
MLogP:  1.68
XLogP:  -1.493
# Rotatable Bonds:  6
Polar Surface Area:  106.94
# H-Bond Aceptor:  5
# H-Bond Donor:  5
# Rings:  1
# Heavy Atoms:  12

Download Data

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