Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 764
- Core Entity Id
- 4042
- Source Entity Count
- 1
- Preferred Name
- 2,4-dimethoxybenzyldehyde
- Name En
- Pubchem Id
- 81747
- Smiles Canonical
- COC1=CC(=CC(=C1)C=O)OC
- Molecular Formula
- C9H10O3
- Molecular Weight
- 166.1760
- Inchikey
- VFZRZRDOXPRTSC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC(=C1)C=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.5163
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-Dimethoxybenzyldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,4-Dimethoxybenzyldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-dimethoxybenzyldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4-dimethoxybenzyldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
香根芹
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG GEN QIN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Laxleaf Sweetroot
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,5-Dimethoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dimethoxy-benzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
7311-34-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
7311-34-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzaldehyde, 3,5-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzaldehyde, 3,5-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 230-772-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 230-772-6
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00003366
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00003366
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 62667
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 62667
Role
alias
Source
HERB_v2
Preferred
No
Name
P82W3UJ5DT
Role
alias
Source
itcmdb_public
Preferred
No
Name
P82W3UJ5DT
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-P82W3UJ5DT
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-P82W3UJ5DT
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香根芹XIANG GEN QINLaxleaf Sweetroot3,5-Dimethoxybenzaldehyde3,5-dimethoxy-benzaldehyde7311-34-4Benzaldehyde, 3,5-dimethoxy-EINECS 230-772-6MFCD00003366NSC 62667P82W3UJ5DTUNII-P82W3UJ5DT
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004340
Tcmid
6208
Pub Chem
81747
Tcmbank
TCMBANKIN048630
Etcm Ingredient
2,4-Dimethoxybenzyldehyde
Itcmdb Generated
ITX-INGREDIENT-BE78EEAF79D5
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3
Mol Wt
166.176
Mol Log P
1.5163
In Ch Ikey
VFZRZRDOXPRTSC-UHFFFAOYSA-N
Tcm Name
香根芹
Tcm Name2
XIANG GEN QIN
Mol2 Path
/TCM_database/2007_3d_all/06209.mol2
Reference
6
Num Hdonors
0
Tcm Name En
Laxleaf Sweetroot
Drug Likeness
0.638
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=CC(=C1)C=O)OC
Canonical Smiles
COC1=CC(=CC(=C1)C=O)OC
Herb Alias Names
3,5-Dimethoxybenzaldehyde7311-34-4Benzaldehyde, 3,5-dimethoxy-3,5-dimethoxy-benzaldehydeMFCD00003366P82W3UJ5DTEINECS 230-772-6NSC 62667NSC-62667UNII-P82W3UJ5DT
Molecular Weight
166.060
Molecular Formula
C9H10O3
Molecular Formula
C9H10O3
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.056
Quantitative Estimate Of Drug Likeness（Qed）
0.638