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
- 73818
- Core Entity Id
- 136467
- Source Entity Count
- 1
- Preferred Name
- N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
- Name En
- Pubchem Id
- 5281796
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC(=O)NCCCCN)O
- Molecular Formula
- C14H20N2O3
- Molecular Weight
- 264.1500
- Inchikey
- SFUVCMKSYKHYLD-FNORWQNLSA-N
- Inchi
- InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 84.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
N-(4-aminobutyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide
Itcmdb Generated
ITX-INGREDIENT-E40939FA965A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
264.150
Molecular Formula
C14H20N2O3
Fda Maximum Daily Dose (Fdamdd)
0.308
Quantitative Estimate Of Drug Likeness（Qed）
0.511