Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 3Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27078
- Core Entity Id
- 33285
- Source Entity Count
- 1
- Preferred Name
- N-acetyltyramine
- Name En
- Pubchem Id
- 121051
- Smiles Canonical
- CC(=O)NCCC1=CC=C(C=C1)O
- Molecular Formula
- C10H13NO2
- Molecular Weight
- 179.2190
- Inchikey
- ATDWJOOPFDQZNK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
- Isomeric Smiles
- CC(=O)NCCC1=CC=C(C=C1)O
- Cas Id
- 1202-66-0
- Ob Score
- Mol Logp
- 1.0708
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-acetyltyramine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-acetyltyramine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
n-acetyltyramine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1202-66-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
1202-66-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-
Role
alias
Source
HERB_v2
Preferred
No
Name
GNF-PF-5230
Role
alias
Source
HERB_v2
Preferred
No
Name
GNF-PF-5230
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD01670887
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD01670887
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(4-Hydroxyphenethyl)acetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-(4-Hydroxyphenethyl)acetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(p-Hydroxyphenethyl)acetamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-(p-Hydroxyphenethyl)acetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Acetyl tyramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Acetyl tyramine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[2-(4-Hydroxyphenyl)ethyl]acetamide
Role
alias
Source
HERB_v2
Preferred
No
Name
N-[2-(4-Hydroxyphenyl)ethyl]acetamide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1202-66-0Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-GNF-PF-5230MFCD01670887N-(4-Hydroxyphenethyl)acetamideN-(p-Hydroxyphenethyl)acetamideN-Acetyl tyramineN-[2-(4-Hydroxyphenyl)ethyl]acetamide
Cross References
Trusted external identifiers retained for this final record.
Cas
1202-66-0
Herb
HBIN036272
Npass
NPC178902
Tcm Id
2442
Pub Chem
121051
Tcmbank
TCMBANKIN010758
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
Mol Wt
179.219
Cas Id
1202-66-0
Smiles
CC(=O)NCCC1=CC=C(C=C1)O
Mol Log P
1.0708
In Ch Ikey
ATDWJOOPFDQZNK-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.729
Num Hacceptors
2
Isomeric Smiles
CC(=O)NCCC1=CC=C(C=C1)O
Canonical Smiles
CC(=O)NCCC1=CC=C(C=C1)O
Herb Alias Names
1202-66-0N-(4-Hydroxyphenethyl)acetamideN-[2-(4-Hydroxyphenyl)ethyl]acetamideN-Acetyl tyramineN-(p-Hydroxyphenethyl)acetamideN-(2-(4-Hydroxyphenyl)ethyl)acetamideGNF-PF-5230MFCD01670887Acetamide, N-[2-(4-hydroxyphenyl)ethyl]-
Molecular Weight
179.22
Molecular Formula
C10H13NO2
Molecular Formula
C10H13NO2
Num Rotatable Bonds
3