Natural Product: NPC316445

Natural Product ID:  NPC316445
Common Name:   Hydantocidin
IUPAC Name:   (5S,7R,8S,9R)-8,9-dihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
Synonyms:  
Molecular Formula:   C7H10N2O6
Standard InCHIKey:  RFZZKBWDDKMWNM-GTBMBKLPSA-N
Standard InCHI:  InChI=1S/C7H10N2O6/c10-1-2-3(11)4(12)7(15-2)5(13)8-6(14)9-7/h2-4,10-12H,1H2,(H2,8,9,13,14)/t2-,3-,4-,7+/m1/s1
Canonical SMILES:  OC[C@H]1O[C@]2([C@@H]([C@@H]1O)O)N=C(N=C2O)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*
NPO13391.54 Streptomyces hygroscopicus sank 63584 Subspecies Streptomycetaceae Bacteria StreptomeDB*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT130 Organism Digitaria sanguinalis Digitaria sanguinalis GI = 95 % 10.1016/0040-4020(95)00810-U
NPT122 Organism Solanum nigrum Solanum nigrum GI = 95 % 10.1016/0040-4020(95)00810-U
NPT117 Organism Echinochloa crus-galli Echinochloa crus-galli GI = 95 % 10.1016/0040-4020(95)00810-U
NPT5962 Organism Xanthium strumarium Xanthium strumarium GI = 95 % 10.1016/0040-4020(95)00810-U
NPT5963 Organism Ipomoea purpurea Ipomoea purpurea GI = 95 % 10.1016/0040-4020(95)00810-U
NPT2239 Organism Ambrosia artemisiifolia Ambrosia artemisiifolia GI = 95 % 10.1016/0040-4020(95)00810-U
NPT522 Organism Abutilon theophrasti Abutilon theophrasti GI = 95 % 10.1016/0040-4020(95)00810-U
NPT5964 Organism Panicum dichotomiflorum Panicum dichotomiflorum GI = 95 % 10.1016/0040-4020(95)00810-U
NPT3071 Organism Setaria viridis Setaria viridis GI = 95 % 10.1016/0040-4020(95)00810-U
NPT2236 Organism Sorghum halepense Sorghum halepense GI = 95 % 10.1016/0040-4020(95)00810-U

  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 NPC316445 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
0.6625 Remote Similarity NPC314772
0.6625 Remote Similarity NPC314968
0.6579 Remote Similarity NPC223174
0.6579 Remote Similarity NPC327753
0.6579 Remote Similarity NPC327486
0.6538 Remote Similarity NPC315806
0.6296 Remote Similarity NPC329077
0.6145 Remote Similarity NPC316807
0.5974 Remote Similarity NPC322801
0.5974 Remote Similarity NPC129100
0.5974 Remote Similarity NPC291650
0.593 Remote Similarity NPC319753
0.5889 Remote Similarity NPC328806
0.5882 Remote Similarity NPC224624
0.5867 Remote Similarity NPC145627
0.5844 Remote Similarity NPC116377
0.5844 Remote Similarity NPC101746
0.5844 Remote Similarity NPC77191
0.5844 Remote Similarity NPC69798
0.5844 Remote Similarity NPC473952
0.5842 Remote Similarity NPC59589
0.5833 Remote Similarity NPC325902
0.5821 Remote Similarity NPC112363
0.5778 Remote Similarity NPC62927
0.5778 Remote Similarity NPC190334
0.575 Remote Similarity NPC163538
0.575 Remote Similarity NPC115800
0.5733 Remote Similarity NPC62507
0.5733 Remote Similarity NPC8087
0.57 Remote Similarity NPC314398
0.57 Remote Similarity NPC314413
0.57 Remote Similarity NPC239705
0.5696 Remote Similarity NPC126664
0.5696 Remote Similarity NPC34291
0.5696 Remote Similarity NPC474469
0.5696 Remote Similarity NPC171850
0.5692 Remote Similarity NPC29721
0.5679 Remote Similarity NPC255535
0.5679 Remote Similarity NPC299603
0.5679 Remote Similarity NPC137554
0.5679 Remote Similarity NPC285014
0.5679 Remote Similarity NPC28959
0.5676 Remote Similarity NPC170172
0.5644 Remote Similarity NPC92874
0.5644 Remote Similarity NPC322449
0.5644 Remote Similarity NPC62845
0.5644 Remote Similarity NPC166242
0.5644 Remote Similarity NPC189854
0.5641 Remote Similarity NPC294883
0.5641 Remote Similarity NPC12514
0.5641 Remote Similarity NPC315980
0.5625 Remote Similarity NPC475715
0.5625 Remote Similarity NPC473419
0.5625 Remote Similarity NPC475127
0.5618 Remote Similarity NPC229249
0.5616 Remote Similarity NPC293551
0.5612 Remote Similarity NPC474952
0.5604 Remote Similarity NPC163352
0.5604 Remote Similarity NPC210456

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC316445 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
0.6667 Remote Similarity NPD9211 Clinical (unspecified phase)
0.6625 Remote Similarity NPD9435 Approved
0.6625 Remote Similarity NPD9434 Approved
0.6579 Remote Similarity NPD9445 Approved
0.6538 Remote Similarity NPD9653 Clinical (unspecified phase)
0.6375 Remote Similarity NPD9407 Approved
0.631 Remote Similarity NPD2691 Clinical (unspecified phase)
0.6203 Remote Similarity NPD9405 Approved
0.6071 Remote Similarity NPD9429 Discontinued
0.6032 Remote Similarity NPD8957 Approved
0.5974 Remote Similarity NPD9030 Approved
0.5974 Remote Similarity NPD9033 Approved
0.5974 Remote Similarity NPD9032 Approved
0.5974 Remote Similarity NPD9031 Approved
0.5897 Remote Similarity NPD9444 Discontinued
0.5821 Remote Similarity NPD9139 Approved
0.5778 Remote Similarity NPD9604 Approved
0.5778 Remote Similarity NPD9603 Phase 3
0.5778 Remote Similarity NPD9602 Phase 3
0.5761 Remote Similarity NPD3716 Discontinued
0.5747 Remote Similarity NPD9573 Phase 2
0.5699 Remote Similarity NPD6943 Clinical (unspecified phase)
0.5699 Remote Similarity NPD9585 Discontinued
0.5696 Remote Similarity NPD9443 Clinical (unspecified phase)
0.5692 Remote Similarity NPD9006 Approved
0.5618 Remote Similarity NPD9601 Approved
0.5604 Remote Similarity NPD241 Discontinued
0.56 Remote Similarity NPD9239 Approved
0.56 Remote Similarity NPD9455 Approved
0.56 Remote Similarity NPD9240 Approved

Structure

External Identifiers

PubChem CID   125429
ChEMBL   CHEMBL2285997
ZINC  

Physicochemical Properties

Molecular Weight:  218.05
ALogP:  -1.9456
MLogP:  1.35
XLogP:  -2.383
# Rotatable Bonds:  6
Polar Surface Area:  135.1
# H-Bond Aceptor:  8
# H-Bond Donor:  5
# Rings:  2
# Heavy Atoms:  15

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Similar NPs/Drugs