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
- 64840
- Core Entity Id
- 111858
- Source Entity Count
- 1
- Preferred Name
- The Methoxy Ethyl Cinnamate
- Name En
- Pubchem Id
- 5388518
- Smiles Canonical
- CCOC(=O)C=CC1=CC=CC=C1OC
- Molecular Formula
- C12H14O3
- Molecular Weight
- 206.2400
- Inchikey
- ATAFSLBAINHGTN-CMDGGOBGSA-N
- Inchi
- InChI=1S/C12H14O3/c1-3-15-12(13)9-8-10-6-4-5-7-11(10)14-2/h4-9H,3H2,1-2H3/b9-8+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.5000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 35.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
The Methoxy Ethyl Cinnamate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
The Methoxy Ethyl Cinnamate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT27129
Pub Chem
5388518
Itcmdb Generated
ITX-INGREDIENT-6DA437DD0B4E
Attributes
Merged source attributes and domain-specific metadata.
Type
QC ingredients
Version
v2
Suppress
0
Molecule Formula
C12H14O3