Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62829
- Core Entity Id
- 109847
- Source Entity Count
- 1
- Preferred Name
- 3-Phenyl-2-Propenal
- Name En
- Pubchem Id
- 637511
- Smiles Canonical
- C1=CC=C(C=C1)C=CC=O
- Molecular Formula
- C9H8O
- Molecular Weight
- 132.0600
- Inchikey
- KJPRLNWUNMBNBZ-QPJJXVBHSA-N
- Inchi
- InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Phenyl-2-Propenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-Phenyl-2-propenal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21297
Etcm Ingredient
3-Phenyl-2-propenal
Itcmdb Generated
ITX-INGREDIENT-33E15328013EITX-INGREDIENT-50B702CBEB70
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
132.060
Molecular Formula
C9H8O
Fda Maximum Daily Dose (Fdamdd)
0.063
Quantitative Estimate Of Drug Likeness（Qed）
0.443