Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20440
- Core Entity Id
- 25900
- Source Entity Count
- 1
- Preferred Name
- Glutinic acid
- Name En
- Pubchem Id
- 135471958
- Smiles Canonical
- C(=CC(=O)O)[CH+]C(=O)[O-]
- Molecular Formula
- C5H4O4
- Molecular Weight
- 128.0830
- Inchikey
- ITFCYCHHNDTEPX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H4O4/c6-4(7)2-1-3-5(8)9/h1-3H,(H-,6,7,8,9)
- Isomeric Smiles
- C(=CC(=O)O)[CH+]C(=O)[O-]
- Cas Id
- Ob Score
- Mol Logp
- -1.4186
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glutinic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Glutinic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glutinic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
glutinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-Pentadienedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Pentadienedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
32804-68-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
32804-68-5
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-5-oxopent-3-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-5-oxopent-3-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Allenedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Allenedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229132
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:229132
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00412684
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00412684
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01170138
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01170138
Role
alias
Source
itcmdb_public
Preferred
No
Name
Penta-2,3-dienedioic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Penta-2,3-dienedioic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
glutinicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3-Pentadienedioic acid32804-68-55-hydroxy-5-oxopent-3-enoateAllenedicarboxylic acidCHEBI:229132DTXSID00412684LMFA01170138Penta-2,3-dienedioic Acidglutinicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN028066
Tcmid
256538786
Pub Chem
135471958
Tcmbank
TCMBANKIN026073
Etcm Ingredient
Glutinic acid
Itcmdb Generated
ITX-INGREDIENT-C4664889AA8F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C5H4O4/c6-4(7)2-1-3-5(8)9/h1-3H,(H-,6,7,8,9)
Mol Wt
128.083
Smiles
C(=CC(=O)O)[CH+]C(=O)[O-]
Mol Log P
-1.41861
In Ch Ikey
ITFCYCHHNDTEPX-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.374
Num Hacceptors
3
Isomeric Smiles
C(=CC(=O)O)[CH+]C(=O)[O-]
Canonical Smiles
C(=CC(=O)O)[CH+]C(=O)[O-]
Herb Alias Names
32804-68-52,3-Pentadienedioic acidPenta-2,3-dienedioic Acid2,3-PentadienedioicacidAllenedicarboxylic acid5-hydroxy-5-oxopent-3-enoateDTXSID00412684CHEBI:229132LMFA01170138
Molecular Weight
334.210
Molecular Weight
128.08 g/mol
Molecular Formula
C20H30O4
Molecular Formula
C5H4O4
Molecular Formula
C5H4O4
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.272
Quantitative Estimate Of Drug Likeness（Qed）
0.717