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
- 17775
- Core Entity Id
- 22929
- Source Entity Count
- 1
- Preferred Name
- (e)-4-hydroxyhex-2-enoic acid
- Name En
- Pubchem Id
- 10441721
- Smiles Canonical
- CCC(C=CC(=O)O)O
- Molecular Formula
- C6H10O3
- Molecular Weight
- 130.1430
- Inchikey
- ZYIDCTGWYIVEER-ONEGZZNKSA-N
- Inchi
- InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h3-5,7H,2H2,1H3,(H,8,9)/b4-3+
- Isomeric Smiles
- CCC(/C=C/C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3981
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-4-Hydroxyhex-2-Enoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-4-Hydroxyhex-2-Enoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(E)-4-hydroxyhex-2-enoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-4-hydroxyhex-2-enoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-4-hydroxyhex-2-enoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxy-2-hexenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-2-hexenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-hydroxy-2-hexenoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024711
Tcmid
35395
Sym Map
SMIT19973
Pub Chem
10441721
Tcmbank
TCMBANKIN036007
Itcmdb Generated
ITX-INGREDIENT-2791F85EF0D7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10O3/c1-2-5(7)3-4-6(8)9/h3-5,7H,2H2,1H3,(H,8,9)/b4-3+
Mol Wt
130.143
Smiles
CCC(C=CC(=O)O)O
Mol Log P
0.3981
Version
v2
In Ch Ikey
ZYIDCTGWYIVEER-ONEGZZNKSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.543
Num Hacceptors
2
Isomeric Smiles
CCC(/C=C/C(=O)O)O
Canonical Smiles
CCC(C=CC(=O)O)O
Herb Alias Names
4-hydroxy-2-hexenoic acid
Molecular Formula
C6H10O3
Molecular Formula
C6H10O3
Num Rotatable Bonds
3