Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64266
- Core Entity Id
- 111284
- Source Entity Count
- 1
- Preferred Name
- Malondialdehyde
- Name En
- Pubchem Id
- 10964
- Smiles Canonical
- C(C=O)C=O
- Molecular Formula
- C3H4O2
- Molecular Weight
- 72.0200
- Inchikey
- WSMYVTOQOOLQHP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.6000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 34.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Malondialdehyde
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Malondialdehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Malondialdehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25294
Etcm Ingredient
Malondialdehyde
Itcmdb Generated
ITX-INGREDIENT-760A8EF40D3FITX-INGREDIENT-D6138977CFCE
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0
Molecular Weight
72.020
Molecular Formula
C3H4O2
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.333