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
- 62580
- Core Entity Id
- 109598
- Source Entity Count
- 1
- Preferred Name
- 2,4-Dihydroxycinnamate
- Name En
- Pubchem Id
- 54708747
- Smiles Canonical
- C1=CC(=C(C=C1O)[O-])C=CC(=O)O
- Molecular Formula
- C9H8O4
- Molecular Weight
- 179.1500
- Inchikey
- HGEFWFBFQKWVMY-DUXPYHPUSA-M
- Inchi
- InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/p-1/b4-2+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 80.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-Dihydroxycinnamate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,4-Dihydroxycinnamate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20519
Itcmdb Generated
ITX-INGREDIENT-171184FB5790
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C9H8O4