Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28109
- Core Entity Id
- 34429
- Source Entity Count
- 1
- Preferred Name
- O-2-hydroxybenzoic acid
- Name En
- Pubchem Id
- 4649
- Smiles Canonical
- C1=CC(=C(C=C1N)O)C(=O)O
- Molecular Formula
- C7H7NO3
- Molecular Weight
- 153.1370
- Inchikey
- WUBBRNOQWQTFEX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
- Isomeric Smiles
- C1=CC(=C(C=C1N)O)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.6726
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
O-2-Hydroxybenzoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
O-2-Hydroxybenzoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
O-2-hydroxybenzoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
O-2-hydroxybenzoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
O-2-hydroxybenzoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-Amino-2-hydroxybenzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Amino-2-hydroxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Aminosalicylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Aminosalicylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
65-49-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
65-49-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminosalicylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Aminosalicylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
P-AMINOSALICYLIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
P-AMINOSALICYLIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pamisyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Pamisyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Paramycin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Paramycin
Role
alias
Source
HERB_v2
Preferred
No
Name
Parasal
Role
alias
Source
HERB_v2
Preferred
No
Name
Parasal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Paser
Role
alias
Source
HERB_v2
Preferred
No
Name
Paser
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rezipas
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rezipas
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Amino-2-hydroxybenzoic acid4-Aminosalicylic acid65-49-6Aminosalicylic acidP-AMINOSALICYLIC ACIDPamisylParamycinParasalPaserRezipas
Cross References
Trusted external identifiers retained for this final record.
Hit
C0896
Herb
HBIN037616
Npass
NPC301702
Tcmid
33113
Sym Map
SMIT25768
Pub Chem
4649
Tcmbank
TCMBANKIN011751
Itcmdb Generated
ITX-INGREDIENT-4AD77DA1A5DB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
Mol Wt
153.137
Smiles
C1=CC(=C(C=C1N)O)C(=O)O
Mol Log P
0.6726
Version
v2
In Ch Ikey
WUBBRNOQWQTFEX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
3
Drug Likeness
0.518
Num Hacceptors
3
Isomeric Smiles
C1=CC(=C(C=C1N)O)C(=O)O
Canonical Smiles
C1=CC(=C(C=C1N)O)C(=O)O
Herb Alias Names
4-Aminosalicylic acid65-49-64-Amino-2-hydroxybenzoic acidAminosalicylic acidP-AMINOSALICYLIC ACIDRezipasParamycinPamisylParasalPaser
Molecular Formula
C7H7NO3
Molecular Formula
C7H7NO3
Num Rotatable Bonds
1