Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65725
- Core Entity Id
- 128374
- Source Entity Count
- 1
- Preferred Name
- (E)-Ethyl caffeate
- Name En
- Pubchem Id
- 5317238
- Smiles Canonical
- CCOC(=O)C=CC1=CC(=C(C=C1)O)O
- Molecular Formula
- C11H12O4
- Molecular Weight
- 208.0700
- Inchikey
- WDKYDMULARNCIS-GQCTYLIASA-N
- Inchi
- InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-Ethyl caffeate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(E)-Ethyl caffeate
Itcmdb Generated
ITX-INGREDIENT-82CFB82DA4DE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
208.070
Molecular Formula
C11H12O4
Fda Maximum Daily Dose (Fdamdd)
0.120
Quantitative Estimate Of Drug Likeness（Qed）
0.450