Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35233
- Core Entity Id
- 42347
- Source Entity Count
- 1
- Preferred Name
- Threono-1,4-lactone
- Name En
- Pubchem Id
- 10351686
- Smiles Canonical
- C1C(C(C(=O)O1)O)O
- Molecular Formula
- C4H6O4
- Molecular Weight
- 118.0880
- Inchikey
- SGMJBNSHAZVGMC-GBXIJSLDSA-N
- Inchi
- InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m1/s1
- Isomeric Smiles
- C1[C@H]([C@@H](C(=O)O1)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.7350
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3710
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Threono-1,4-lactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Threono-1,4-lactone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Threono-1,4-lactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
threono-1,4-lactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3S,4R)-3,4-dihydroxydihydrofuran-2(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,4R)-3,4-dihydroxydihydrofuran-2(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3S,4R)-3,4-dihydroxyoxolan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S,4R)-3,4-dihydroxyoxolan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006292705
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006292705
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:87770
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:87770
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-threono-1,4-lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
D-threono-1,4-lactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-threonolactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-threonolactone
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5950880
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5950880
Role
alias
Source
HERB_v2
Preferred
No
Name
SGMJBNSHAZVGMC-GBXIJSLDSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SGMJBNSHAZVGMC-GBXIJSLDSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
d-threonic acid-1,4-lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
d-threonic acid-1,4-lactone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3S,4R)-3,4-dihydroxydihydrofuran-2(3H)-one(3S,4R)-3,4-dihydroxyoxolan-2-oneAKOS006292705CHEBI:87770D-threono-1,4-lactoneD-threonolactoneSCHEMBL5950880SGMJBNSHAZVGMC-GBXIJSLDSA-Nd-threonic acid-1,4-lactone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN046362
Tcmid
21327
Pub Chem
10351686
Tcmbank
TCMBANKIN039447
Etcm Ingredient
Threono-1,4-lactone
Itcmdb Generated
ITX-INGREDIENT-560B12390867
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3+/m1/s1
Mol Wt
118.088
Smiles
C1C(C(C(=O)O1)O)O
Mol Log P
-1.735
In Ch Ikey
SGMJBNSHAZVGMC-GBXIJSLDSA-N
Mol2 Path
/TCM_database/2007_3d_all/21343.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.371
Num Hacceptors
4
Isomeric Smiles
C1[C@H]([C@@H](C(=O)O1)O)O
Canonical Smiles
C1C(C(C(=O)O1)O)O
Herb Alias Names
D-threonolactone(3S,4R)-3,4-dihydroxyoxolan-2-one(3S,4R)-3,4-dihydroxydihydrofuran-2(3H)-oneD-threono-1,4-lactoned-threonic acid-1,4-lactoneSCHEMBL5950880CHEBI:87770SGMJBNSHAZVGMC-GBXIJSLDSA-NAKOS006292705
Molecular Weight
118.030
Molecular Weight
118.09 g/mol
Molecular Formula
C4H6O4
Molecular Formula
C4H6O4
Molecular Formula
C4H6O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.149
Quantitative Estimate Of Drug Likeness（Qed）
0.396