Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 9Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16420
- Core Entity Id
- 21420
- Source Entity Count
- 1
- Preferred Name
- Dehydroascorbate
- Name En
- Pubchem Id
- 440667
- Smiles Canonical
- C(C(C1C(=O)C(=O)C(=O)O1)O)O
- Molecular Formula
- C6H6O6
- Molecular Weight
- 174.1080
- Inchikey
- SBJKKFFYIZUCET-JLAZNSOCSA-N
- Inchi
- InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
- Isomeric Smiles
- C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.5968
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydroascorbate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dehydroascorbate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dehydroascorbate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
Role
alias
Source
HERB_v2
Preferred
No
Name
490-83-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
490-83-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DEHYDROASCORBIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
DEHYDROASCORBIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
DHAA
Role
alias
Source
itcmdb_public
Preferred
No
Name
DHAA
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydro-L-ascorbic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydro-L-ascorbic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Dehydroascorbate
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Dehydroascorbate
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Dehydroascorbic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Dehydroascorbic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
L-Threo-hexo-2,3-diulosono-1,4-lactone
Role
alias
Source
HERB_v2
Preferred
No
Name
L-Threo-hexo-2,3-diulosono-1,4-lactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
dehydroascorbic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione490-83-5DEHYDROASCORBIC ACIDDHAADehydro-L-ascorbic acidL-DehydroascorbateL-Dehydroascorbic acidL-Threo-hexo-2,3-diulosono-1,4-lactone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022977
Npass
NPC282707
Tcmid
33028
Pub Chem
440667
Tcmbank
TCMBANKIN057942
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1
Mol Wt
174.108
Smiles
C(C(C1C(=O)C(=O)C(=O)O1)O)O
Mol Log P
-2.596799999999999
In Ch Ikey
SBJKKFFYIZUCET-JLAZNSOCSA-N
Num Hdonors
2
Drug Likeness
0.351
Num Hacceptors
6
Isomeric Smiles
C([C@@H]([C@@H]1C(=O)C(=O)C(=O)O1)O)O
Canonical Smiles
C(C(C1C(=O)C(=O)C(=O)O1)O)O
Herb Alias Names
DEHYDROASCORBIC ACID490-83-5L-Dehydroascorbic acidDHAADehydro-L-ascorbic acidL-DehydroascorbateL-Dehydro Ascorbic AcidL-Threo-hexo-2,3-diulosono-1,4-lactone(5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-trione
Molecular Weight
174.11 g/mol
Molecular Formula
C6H6O6
Molecular Formula
C6H6O6
Num Rotatable Bonds
2