Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1984
- Core Entity Id
- 5394
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-5-methoxy-benzyldehyde
- Name En
- Pubchem Id
- 95695
- Smiles Canonical
- COC1=CC(=C(C=C1)O)C=O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.1490
- Inchikey
- FZHSPPYCNDYIKD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
- Isomeric Smiles
- COC1=CC(=C(C=C1)O)C=O
- Cas Id
- Ob Score
- 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
2-Hydroxy-5-methoxy-benzyldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-hydroxy-5-methoxy-benzyldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hydroxy-5-methoxy-benzyldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hydroxy-5-methoxy-benzyldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-Formyl-4-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Formyl-4-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxy-5-methoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-5-methoxy-benzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methoxy-2-hydroxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Methoxy-2-hydroxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methoxysalicylaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methoxysalicylaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-m-anisaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-m-anisaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
672-13-9
Role
alias
Source
HERB_v2
Preferred
No
Name
672-13-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzaldehyde, 2-hydroxy-5-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzaldehyde, 2-hydroxy-5-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Salicylaldehyde, 5-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Salicylaldehyde, 5-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
m-Anisaldehyde, 6-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
m-Anisaldehyde, 6-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Formyl-4-methoxyphenol2-Hydroxy-5-methoxybenzaldehyde2-hydroxy-5-methoxy-benzaldehyde5-Methoxy-2-hydroxybenzaldehyde5-Methoxysalicylaldehyde6-Hydroxy-m-anisaldehyde672-13-9Benzaldehyde, 2-hydroxy-5-methoxy-Salicylaldehyde, 5-methoxy-m-Anisaldehyde, 6-hydroxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005765
Tcmid
10383
Pub Chem
95695
Tcmbank
TCMBANKIN042338
Etcm Ingredient
2-Hydroxy-5-methoxy-benzyldehyde
Itcmdb Generated
ITX-INGREDIENT-792DB919384A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H8O3/c1-11-7-2-3-8(10)6(4-7)5-9/h2-5,10H,1H3
Mol Wt
152.149
Smiles
COC1=CC(=C(C=C1)O)C=O
Mol Log P
1.2133
In Ch Ikey
FZHSPPYCNDYIKD-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/10384.mol2
Reference
4304
Num Hdonors
1
Drug Likeness
0.648
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=C(C=C1)O)C=O
Canonical Smiles
COC1=CC(=C(C=C1)O)C=O
Herb Alias Names
2-Hydroxy-5-methoxybenzaldehyde672-13-95-Methoxysalicylaldehydem-Anisaldehyde, 6-hydroxy-Benzaldehyde, 2-hydroxy-5-methoxy-6-Hydroxy-m-anisaldehyde2-hydroxy-5-methoxy-benzaldehydeSalicylaldehyde, 5-methoxy-5-Methoxy-2-hydroxybenzaldehyde2-Formyl-4-methoxyphenol
Molecular Weight
152.050
Molecular Formula
C8H8O3
Molecular Formula
C8H8O3
Molecular Formula
C8H8O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.309
Quantitative Estimate Of Drug Likeness（Qed）
0.648