Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Meta-analysis: 3Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19226
- Core Entity Id
- 24549
- Source Entity Count
- 1
- Preferred Name
- Flavanols
- Name En
- Pubchem Id
- 5284506
- Smiles Canonical
- CN(C)C1=CC=C(C=C1)C=CC=O
- Molecular Formula
- C11H13NO
- Molecular Weight
- 175.2310
- Inchikey
- RUKJCCIJLIMGEP-ONEGZZNKSA-N
- Inchi
- InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+
- Isomeric Smiles
- CN(C)C1=CC=C(C=C1)/C=C/C=O
- Cas Id
- Ob Score
- Mol Logp
- 1.9647
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Flavanols
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Flavanols
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Flavanols
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Flavanols
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Flavanols
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-3-(4-(dimethylamino)phenyl)acrylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(4-(dimethylamino)phenyl)acrylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
20432-35-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
20432-35-3
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-(Dimethylamino)phenyl)acrylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-(Dimethylamino)phenyl)acrylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(Dimethylamino)cinnamaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Dimethylaminocinnamaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Dimethylcinnamaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Dimethylcinnamaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6203-18-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
6203-18-5
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Dimethylaminocinnamaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Dimethylaminocinnamaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Dimethylaminocinnamic aldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Dimethylaminocinnamic aldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-3-(4-(dimethylamino)phenyl)acrylaldehyde20432-35-33-(4-(Dimethylamino)phenyl)acrylaldehyde4-(Dimethylamino)cinnamaldehyde4-Dimethylaminocinnamaldehyde4-Dimethylcinnamaldehyde6203-18-5p-Dimethylaminocinnamaldehydep-Dimethylaminocinnamic aldehyde
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026526
Tcmid
35484
Sym Map
SMIT23948
Pub Chem
5284506
Tcmbank
TCMBANKIN010716
Itcmdb Generated
ITX-INGREDIENT-763A3B719069
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+
Mol Wt
175.231
Smiles
CN(C)C1=CC=C(C=C1)C=CC=O
Mol Log P
1.9647
Version
v2
In Ch Ikey
RUKJCCIJLIMGEP-ONEGZZNKSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.517
Num Hacceptors
2
Isomeric Smiles
CN(C)C1=CC=C(C=C1)/C=C/C=O
Canonical Smiles
CN(C)C1=CC=C(C=C1)C=CC=O
Herb Alias Names
4-(Dimethylamino)cinnamaldehyde6203-18-54-Dimethylaminocinnamaldehyde20432-35-33-(4-(Dimethylamino)phenyl)acrylaldehydep-Dimethylaminocinnamaldehyde4-Dimethylcinnamaldehydep-Dimethylaminocinnamic aldehydep-(Dimethylamino)cinnamaldehyde(E)-3-(4-(dimethylamino)phenyl)acrylaldehyde
Molecular Formula
C11H13NO
Molecular Formula
C11H13NO
Num Rotatable Bonds
3