IngredientID 69300
7'-(3',4'-Dihydroxyphenyl)-N-[(4-methoxyphenyl)-ethyl]propenamide
C18H19NO4
Relationship Network
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Herb: 1Ingredient: 1Target: 2Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69300
- Core Entity Id
- 131949
- Source Entity Count
- 1
- Preferred Name
- 7'-(3',4'-Dihydroxyphenyl)-N-[(4-methoxyphenyl)-ethyl]propenamide
- Name En
- Pubchem Id
- 10403282
- Smiles Canonical
- COC1=CC=C(C=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)O
- Molecular Formula
- C18H19NO4
- Molecular Weight
- 313.1300
- Inchikey
- JRKPLTBLTYEYJJ-WEVVVXLNSA-N
- Inchi
- InChI=1S/C18H19NO4/c1-23-15-6-2-13(3-7-15)10-11-19-18(22)9-5-14-4-8-16(20)17(21)12-14/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 78.8000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
7'-(3',4'-Dihydroxyphenyl)-N-[(4-methoxyphenyl)-ethyl]propenamide
Itcmdb Generated
ITX-INGREDIENT-ACF95B96DC6F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
313.130
Molecular Formula
C18H19NO4
Fda Maximum Daily Dose (Fdamdd)
0.865
Quantitative Estimate Of Drug Likeness（Qed）
0.565