Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6171
- Core Entity Id
- 10042
- Source Entity Count
- 1
- Preferred Name
- 4-methoxy salicylic acid
- Name En
- Pubchem Id
- 75231
- Smiles Canonical
- COC1=CC(=C(C=C1)C(=O)O)O
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.1480
- Inchikey
- MRIXVKKOHPQOFK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
- Isomeric Smiles
- COC1=CC(=C(C=C1)C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.0990
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6930
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methoxy Salicylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-methoxy salicylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methoxy salicylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxy salicylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-Hydroxy-4-methoxybenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-4-methoxybenzoicacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-p-anisic Acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-p-anisic Acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-4-methoxybenzoicacid
Role
alias
Source
TCMBank
Preferred
No
Name
2237-36-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
2237-36-7
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methoxysalicylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methoxysalicylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methoxysalicylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Benzoic acid, 2-hydroxy-4-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2-hydroxy-4-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 218-801-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 218-801-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00002450
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002450
Role
alias
Source
itcmdb_public
Preferred
No
Name
OXYBENZONE_met012
Role
alias
Source
HERB_v2
Preferred
No
Name
OXYBENZONE_met012
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxy-4-methoxybenzoic acid2-Hydroxy-4-methoxybenzoicacid2-Hydroxy-p-anisic Acid2237-36-74-Methoxysalicylic acidBenzoic acid, 2-hydroxy-4-methoxy-EINECS 218-801-0MFCD00002450OXYBENZONE_met012
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005756HBIN010646
Npass
NPC307732
Tcmid
103813359535170
Sym Map
SMIT21535
Pub Chem
75231
Tcmbank
TCMBANKIN061701
Itcmdb Generated
ITX-INGREDIENT-E6D4C9A279C1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O4/c1-12-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
Mol Wt
168.148
Smiles
COC1=CC(=C(C=C1)C(=O)O)O
Mol Log P
1.099
Version
v2
In Ch Ikey
MRIXVKKOHPQOFK-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.693
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=C(C=C1)C(=O)O)O
Canonical Smiles
COC1=CC(=C(C=C1)C(=O)O)O
Herb Alias Names
4-Methoxysalicylic acid2-Hydroxy-4-methoxybenzoic acid2237-36-7MFCD00002450Benzoic acid, 2-hydroxy-4-methoxy-2-hydroxy-4-methoxy-benzoic acid2-Hydroxy-p-anisic Acid2-Hydroxy-4-methoxybenzoicacidEINECS 218-801-0OXYBENZONE_met012
Molecular Weight
168.15 g/mol
Molecular Formula
C8H8O4
Molecular Formula
C8H8O4
Num Rotatable Bonds
2