Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3076
- Core Entity Id
- 6608
- Source Entity Count
- 1
- Preferred Name
- 3-(2-hydroxyphenyl)-2-propenal
- Name En
- Pubchem Id
- 5318169
- Smiles Canonical
- C1=CC=C(C(=C1)C=CC=O)O
- Molecular Formula
- C9H8O2
- Molecular Weight
- 148.1610
- Inchikey
- BSDNZCQPDVTDET-HWKANZROSA-N
- Inchi
- InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
- Isomeric Smiles
- C1=CC=C(C(=C1)/C=C/C=O)O
- Cas Id
- 60125-23-7
- Ob Score
- Mol Logp
- 1.6043
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(2-hydroxyphenyl)-2-propenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(2-hydroxyphenyl)-2-propenal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-(2-hydroxyphenyl)-2-propenal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E)-3-(2-hydroxyphenyl)prop-2-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-3-(2-hydroxyphenyl)prop-2-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(2-Hydroxyphenyl)-2-propenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(2-Hydroxyphenyl)-2-propenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-(2-hydroxyphenyl)acrylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(2-hydroxyphenyl)acrylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-3-(2-hydroxyphenyl)prop-2-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-3-(2-hydroxyphenyl)prop-2-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxycinnamaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxycinnamaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2-Hydroxyphenyl)acrylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2-Hydroxyphenyl)acrylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3541-42-2
Role
alias
Source
HERB_v2
Preferred
No
Name
3541-42-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
60125-23-7
Role
alias
Source
HERB_v2
Preferred
No
Name
60125-23-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
o-Hydroxycinnamaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Hydroxycinnamaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E)-3-(2-hydroxyphenyl)prop-2-enal(E)-3-(2-Hydroxyphenyl)-2-propenal(E)-3-(2-hydroxyphenyl)acrylaldehyde(E)-3-(2-hydroxyphenyl)prop-2-enal2-Hydroxycinnamaldehyde3-(2-Hydroxyphenyl)acrylaldehyde3541-42-260125-23-7o-Hydroxycinnamaldehyde
Cross References
Trusted external identifiers retained for this final record.
Cas
60125-23-7
Herb
HBIN007045
Npass
NPC283711
Tcm Id
8503
Pub Chem
5318169
Tcmbank
TCMBANKIN058280
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
Mol Wt
148.161
Cas Id
60125-23-7
Smiles
C1=CC=C(C(=C1)C=CC=O)O
Mol Log P
1.6043
In Ch Ikey
BSDNZCQPDVTDET-HWKANZROSA-N
Num Hdonors
1
Drug Likeness
0.511
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C(=C1)/C=C/C=O)O
Canonical Smiles
C1=CC=C(C(=C1)C=CC=O)O
Herb Alias Names
2-Hydroxycinnamaldehyde60125-23-73541-42-23-(2-Hydroxyphenyl)acrylaldehydeo-Hydroxycinnamaldehyde(E)-3-(2-hydroxyphenyl)acrylaldehyde(E)-3-(2-hydroxyphenyl)prop-2-enal(2E)-3-(2-hydroxyphenyl)prop-2-enal(E)-3-(2-Hydroxyphenyl)-2-propenal
Molecular Weight
148.16
Molecular Formula
C9H8O2
Molecular Formula
C9H8O2
Num Rotatable Bonds
2