Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28057
- Core Entity Id
- 34372
- Source Entity Count
- 1
- Preferred Name
- N-trans-cinnamoyltyramine
- Name En
- Pubchem Id
- 5315911
- Smiles Canonical
- C1=CC=C(C=C1)C=CC(=O)NCCC2=CC=C(C=C2)O
- Molecular Formula
- C17H17NO2
- Molecular Weight
- 267.3280
- Inchikey
- KGOYCHSKGXJDND-DHZHZOJOSA-N
- Inchi
- InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+
- Isomeric Smiles
- C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7643
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-trans-Cinnamoyltyramine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
N-trans-Cinnamoyltyramine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-trans-cinnamoyltyramine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-trans-cinnamoyltyramine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
台湾胡椒
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN HU JIAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taiwan Pepper*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2E)-N-(2-(4-Hydroxyphenyl)ethyl)-3-phenyl-2-propenamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-N-(2-(4-Hydroxyphenyl)ethyl)-3-phenyl-2-propenamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
103188-44-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
103188-44-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:177872
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:177872
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL417389
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL417389
Role
alias
Source
HERB_v2
Preferred
No
Name
CM93V4SY32
Role
alias
Source
itcmdb_public
Preferred
No
Name
CM93V4SY32
Role
alias
Source
HERB_v2
Preferred
No
Name
N-cinnamoyltyramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-cinnamoyltyramine
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-CM93V4SY32
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-CM93V4SY32
Role
alias
Source
itcmdb_public
Preferred
No
Name
cinnamoyltyramine
Role
alias
Source
HERB_v2
Preferred
No
Name
cinnamoyltyramine
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-cinnamoyl-p-hydroxybenzenethylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-cinnamoyl-p-hydroxybenzenethylamine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
台湾胡椒TAI WAN HU JIAOTaiwan Pepper*(2E)-N-(2-(4-Hydroxyphenyl)ethyl)-3-phenyl-2-propenamide103188-44-9CHEBI:177872CHEMBL417389CM93V4SY32N-cinnamoyltyramineUNII-CM93V4SY32cinnamoyltyraminetrans-cinnamoyl-p-hydroxybenzenethylamine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037539
Npass
NPC96224
Tcmid
3723
Pub Chem
5315911
Tcmbank
TCMBANKIN044550
Etcm Ingredient
N-trans-Cinnamoyltyramine
Itcmdb Generated
ITX-INGREDIENT-2DD0C5D91294
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H17NO2/c19-16-9-6-15(7-10-16)12-13-18-17(20)11-8-14-4-2-1-3-5-14/h1-11,19H,12-13H2,(H,18,20)/b11-8+
Mol Wt
267.328
Mol Log P
2.764300000000001
In Ch Ikey
KGOYCHSKGXJDND-DHZHZOJOSA-N
Tcm Name
台湾胡椒
Tcm Name2
TAI WAN HU JIAO
Mol2 Path
/TCM_database/2007_3d_all/03723.mol2
Reference
2230, 3026, 4502, 4938
Num Hdonors
2
Tcm Name En
Taiwan Pepper*
Drug Likeness
0.818
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)/C=C/C(=O)NCCC2=CC=C(C=C2)O
Canonical Smiles
C1=CC=C(C=C1)C=CC(=O)NCCC2=CC=C(C=C2)O
Herb Alias Names
N-cinnamoyltyraminecinnamoyltyramineCM93V4SY32103188-44-9trans-cinnamoyl-p-hydroxybenzenethylamineUNII-CM93V4SY32CHEMBL417389(2E)-N-(2-(4-Hydroxyphenyl)ethyl)-3-phenyl-2-propenamideCHEBI:177872
Molecular Weight
267.130
Molecular Weight
267.32 g/mol
Molecular Formula
C17H17NO2
Molecular Formula
C17H17NO2
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.712
Quantitative Estimate Of Drug Likeness（Qed）
0.818