Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 5Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29570
- Core Entity Id
- 36051
- Source Entity Count
- 1
- Preferred Name
- P-formyl benzoicacid
- Name En
- Pubchem Id
- 12088
- Smiles Canonical
- C1=CC(=CC=C1C=O)C(=O)O
- Molecular Formula
- C8H6O3
- Molecular Weight
- 150.1330
- Inchikey
- GOUHYARYYWKXHS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
- Isomeric Smiles
- C1=CC(=CC=C1C=O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1973
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
P-formyl benzoicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
P-formyl benzoicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
p-Formyl benzoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
p-Formyl benzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
台湾芙蓉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TAI WAN FU RONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Taiwan Hibiscus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4-Carboxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Carboxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
4-FORMYLBENZOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Formyl-benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
619-66-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
619-66-9
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 4-formyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 4-formyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00006951
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00006951
Role
alias
Source
HERB_v2
Preferred
No
Name
Terephthalaldehydic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Terephthalaldehydic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Terephthaldehydic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Terephthaldehydic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Carboxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Carboxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Formylbenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Formylbenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
p-Formyl benzoic acid台湾芙蓉TAI WAN FU RONGTaiwan Hibiscus4-Carboxybenzaldehyde4-FORMYLBENZOIC ACID4-Formyl-benzoic acid619-66-9Benzoic acid, 4-formyl-MFCD00006951Terephthalaldehydic acidTerephthaldehydic acidp-Carboxybenzaldehydep-Formylbenzoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN039389
Tcmid
7894
Pub Chem
12088
Tcmbank
TCMBANKIN003019TCMBANKIN028993
Etcm Ingredient
p-Formyl benzoic acid
Itcmdb Generated
ITX-INGREDIENT-3017F4EEAE6CITX-INGREDIENT-3EDD8061D974
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
Mol Wt
150.133
Smiles
C1=CC(=CC=C1C=O)C(=O)O
Mol Log P
1.1973
In Ch Ikey
GOUHYARYYWKXHS-UHFFFAOYSA-N
Tcm Name
台湾芙蓉
Tcm Name2
TAI WAN FU RONG
Mol2 Path
/TCM_database/2007_3d_all/07895.mol2
Reference
2529
Num Hdonors
1
Tcm Name En
Taiwan Hibiscus
Drug Likeness
0.644
Num Hacceptors
2
Isomeric Smiles
C1=CC(=CC=C1C=O)C(=O)O
Canonical Smiles
C1=CC(=CC=C1C=O)C(=O)O
Herb Alias Names
4-FORMYLBENZOIC ACID619-66-94-CarboxybenzaldehydeBenzoic acid, 4-formyl-Terephthalaldehydic acidp-Carboxybenzaldehydep-Formylbenzoic acidTerephthaldehydic acid4-Formyl-benzoic acidMFCD00006951
Molecular Weight
150.030
Molecular Weight
150.13 g/mol
Molecular Formula
C8H6O3
Molecular Formula
C8H6O3
Molecular Formula
C8H6O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.007
Quantitative Estimate Of Drug Likeness（Qed）
0.644