Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 12Links: 18
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6170
- Core Entity Id
- 10041
- Source Entity Count
- 1
- Preferred Name
- 4-methoxysalicyaldehyde
- Name En
- Pubchem Id
- 69600
- Smiles Canonical
- COC1=CC(=C(C=C1)C=O)O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.1490
- Inchikey
- WZUODJNEIXSNEU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3
- Isomeric Smiles
- COC1=CC(=C(C=C1)C=O)O
- Cas Id
- 673-22-3
- Ob Score
- 29.6729
- Mol Logp
- 1.2133
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6480
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methoxysalicyaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Methoxysalicyaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-methoxysalicyaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methoxysalicyaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
160695_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-Hydroxy-4-methoxy-benzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxy-4-methoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-p-anisaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-p-anisaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxy-4-methoxy-benzaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
2-hydroxy-anisaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
4-08-00-01754 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methoxysalicylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methoxysalicylaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methoxysalicylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
55542_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
673-22-3
Role
alias
Source
HERB_v2
Preferred
No
Name
673-22-3
Role
alias
Source
TCMBank
Preferred
No
Name
673-22-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-38507
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1072443
Role
alias
Source
TCMBank
Preferred
No
Name
Benzaldehyde, 2-hydroxy-4-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzaldehyde, 2-hydroxy-4-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzaldehyde, 2-hydroxy-4-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
D1424
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 211-604-0
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 155334
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylaldehyde, 4-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Salicylaldehyde, 4-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
Salicylaldehyde, 4-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01420780
Role
alias
Source
TCMBank
Preferred
No
Name
ghl.PD_Mitscher_leg0.298
Role
alias
Source
TCMBank
Preferred
No
Name
o-Hydroxy-p-methoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Hydroxy-p-methoxybenzaldehyde
Role
alias
Source
TCMBank
Preferred
No
Name
o-Hydroxy-p-methoxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Anisaldehyde, 2-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Anisaldehyde, 2-hydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
p-Anisaldehyde, 2-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
160695_ALDRICH2-Hydroxy-4-methoxy-benzaldehyde2-Hydroxy-4-methoxybenzaldehyde2-Hydroxy-p-anisaldehyde2-hydroxy-anisaldehyde4-08-00-01754 (Beilstein Handbook Reference)4-Methoxysalicylaldehyde55542_FLUKA673-22-3AI3-38507BRN 1072443Benzaldehyde, 2-hydroxy-4-methoxy-D1424EINECS 211-604-0InChI=1/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1HNSC 155334Salicylaldehyde, 4-methoxy-ZINC01420780ghl.PD_Mitscher_leg0.298o-Hydroxy-p-methoxybenzaldehydep-Anisaldehyde, 2-hydroxy-
Cross References
Trusted external identifiers retained for this final record.
Cas
673-22-3
Herb
HBIN010644
Npass
NPC78662
Tcmid
1408136886
Tcmsp
MOL005649
Sym Map
SMIT07375
Pub Chem
69600
Tcmbank
TCMBANKIN061702
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3
Mol Wt
152.149
Cas Id
673-22-3
Smiles
COC1=CC(=C(C=C1)C=O)O
Mol Log P
1.2133
Version
v1,v2
In Ch Ikey
WZUODJNEIXSNEU-UHFFFAOYSA-N
Ob Score
29.672929.6729004829.673
Suppress
0
Num Hdonors
1
Drug Likeness
0.648
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=C(C=C1)C=O)O
Molecule Weight
152.16
Canonical Smiles
COC1=CC(=C(C=C1)C=O)O
Herb Alias Names
2-Hydroxy-4-methoxybenzaldehyde673-22-34-MethoxysalicylaldehydeBenzaldehyde, 2-hydroxy-4-methoxy-o-Hydroxy-p-methoxybenzaldehydep-Anisaldehyde, 2-hydroxy-Salicylaldehyde, 4-methoxy-2-Hydroxy-4-methoxy-benzaldehyde2-Hydroxy-p-anisaldehyde
Molecular Weight
152.15g/mol
Molecular Formula
C8H8O3
Molecular Formula
C8H8O3
Num Rotatable Bonds
2