Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6186
- Core Entity Id
- 10058
- Source Entity Count
- 1
- Preferred Name
- 4-methyl-2,6-dihydroxy-benzaldehyde
- Name En
- Pubchem Id
- 358341
- Smiles Canonical
- COC1=C(C=C(C=C1)O)C=O
- Molecular Formula
- C8H8O3
- Molecular Weight
- 152.1490
- Inchikey
- HWNIBJPEJAWOTR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O3/c1-11-8-3-2-7(10)4-6(8)5-9/h2-5,10H,1H3
- Isomeric Smiles
- COC1=C(C=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
4-Methyl-2,6-dihydroxy-benzaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methyl-2,6-dihydroxy-benzaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methyl-2,6-dihydroxy-benzaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金丝刷
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN SI SHUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gold-wire Brush*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-Methoxy-5-hydroxybenzaldehyd
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methoxy-5-hydroxybenzaldehyd
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxy-6-methoxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-hydroxy-6-methoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
35431-26-6
Role
alias
Source
HERB_v2
Preferred
No
Name
35431-26-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-methoxybenzaidehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-methoxybenzaidehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-methoxybenzaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-methoxybenzaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD03820046
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD03820046
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC618306
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC618306
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1647101
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1647101
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
金丝刷JIN SI SHUAGold-wire Brush*2-Methoxy-5-hydroxybenzaldehyd3-hydroxy-6-methoxybenzaldehyde35431-26-65-hydroxy-2-methoxybenzaidehyde5-hydroxy-2-methoxybenzaldehydeMFCD03820046NSC618306SCHEMBL1647101
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010664
Npass
NPC4012
Tcmid
14290
Pub Chem
358341
Tcmbank
TCMBANKIN039121
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H8O3/c1-11-8-3-2-7(10)4-6(8)5-9/h2-5,10H,1H3
Mol Wt
152.149
Mol Log P
1.2133
In Ch Ikey
HWNIBJPEJAWOTR-UHFFFAOYSA-N
Tcm Name
金丝刷
Tcm Name2
JIN SI SHUA
Mol2 Path
/TCM_database/2007_3d_all/14297.mol2
Reference
4582
Num Hdonors
1
Tcm Name En
Gold-wire Brush*
Drug Likeness
0.648
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=C(C=C1)O)C=O
Canonical Smiles
COC1=C(C=C(C=C1)O)C=O
Herb Alias Names
5-hydroxy-2-methoxybenzaldehyde35431-26-6MFCD038200465-hydroxy-2-methoxy benzaldehyde5-hydroxy-2-methoxy-benzaldehydeNSC6183062-Methoxy-5-hydroxybenzaldehydSCHEMBL16471013-hydroxy-6-methoxybenzaldehyde5-hydroxy-2-methoxybenzaidehyde
Molecular Formula
C8H8O3
Num Rotatable Bonds
2