Relationship Network
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6005
- Core Entity Id
- 9858
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxy-2,6-dimethoxy-benzaldehyde
- Name En
- Pubchem Id
- 529894
- Smiles Canonical
- COC1=CC(=CC(=C1C=O)OC)O
- Molecular Formula
- C9H10O4
- Molecular Weight
- 182.1750
- Inchikey
- HZWPJAZIRZFCGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
- Isomeric Smiles
- COC1=CC(=CC(=C1C=O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2219
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-hydroxy-2, 6-dimethoxy-benzaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-hydroxy-2,6-dimethoxy-benzaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-hydroxy-2,6-dimethoxy-benzaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6-Dimethoxy-4-hydroxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Dimethoxy-4-hydroxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
22080-96-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
22080-96-2
Role
alias
Source
HERB_v2
Preferred
No
Name
4-FORMYL-3,5-DIMETHOXYPHENOL
Role
alias
Source
HERB_v2
Preferred
No
Name
4-FORMYL-3,5-DIMETHOXYPHENOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-2,6-dimethoxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Hydroxy-2,6-dimethoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzaldehyde, 4-hydroxy-2,6-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzaldehyde, 4-hydroxy-2,6-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10336201
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10336201
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl)
Role
alias
Source
HERB_v2
Preferred
No
Name
Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl)
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD01407645
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD01407645
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL283354
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL283354
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-hydroxy-2, 6-dimethoxy-benzaldehyde2,6-Dimethoxy-4-hydroxybenzaldehyde22080-96-24-FORMYL-3,5-DIMETHOXYPHENOL4-Hydroxy-2,6-dimethoxybenzaldehydeBenzaldehyde, 4-hydroxy-2,6-dimethoxy-DTXSID10336201Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl)MFCD01407645SCHEMBL283354
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010439
Npass
NPC21244
Tcmid
40799
Pub Chem
529894
Tcmbank
TCMBANKIN028205
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
Mol Wt
182.175
Smiles
COC1=CC(=CC(=C1C=O)OC)O
Mol Log P
1.2219
In Ch Ikey
HZWPJAZIRZFCGX-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.714
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1C=O)OC)O
Canonical Smiles
COC1=CC(=CC(=C1C=O)OC)O
Herb Alias Names
4-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-22,6-Dimethoxy-4-hydroxybenzaldehydeBenzaldehyde, 4-hydroxy-2,6-dimethoxy-MFCD014076454-FORMYL-3,5-DIMETHOXYPHENOLEthanal, 2-(4-hydroxy-2,6-dimethoxyphenyl)SCHEMBL283354DTXSID10336201
Molecular Weight
182.17 g/mol
Molecular Formula
C9H10O4
Molecular Formula
C9H10O4
Num Rotatable Bonds
3