Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62641
- Core Entity Id
- 109659
- Source Entity Count
- 1
- Preferred Name
- 2-Piperidinone
- Name En
- Pubchem Id
- 12665
- Smiles Canonical
- C1CCNC(=O)C1
- Molecular Formula
- C5H9NO
- Molecular Weight
- 99.1300
- Inchikey
- XUWHAWMETYGRKB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.5000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 29.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Piperidinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Piperidinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20713
Itcmdb Generated
ITX-INGREDIENT-1E773A1AA8A7
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0