Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26090
- Core Entity Id
- 32190
- Source Entity Count
- 1
- Preferred Name
- Methyl-4-hydroxy-3,5-dimethoxybenzoate
- Name En
- Pubchem Id
- 70164
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C(=O)OC
- Molecular Formula
- C10H12O5
- Molecular Weight
- 212.2010
- Inchikey
- ZMXJAEGJWHJMGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.1960
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methyl-4-Hydroxy-3, 5-Dimethoxybenzoate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Methyl-4-hydroxy-3,5-dimethoxybenzoate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Methyl-4-hydroxy-3,5-dimethoxybenzoate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
884-35-5
Role
alias
Source
HERB_v2
Preferred
No
Name
884-35-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:45820
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:45820
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00017199
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00017199
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 3,5-dimethoxy-4-hydroxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl 3,5-dimethoxy-4-hydroxybenzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 4-hydroxy-3,5-dimethoxybenzoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl syringate
Role
alias
Source
HERB_v2
Preferred
No
Name
Methyl syringate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Syringic acid methyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Syringic acid methyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
W5A196MP8A
Role
alias
Source
HERB_v2
Preferred
No
Name
W5A196MP8A
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl 4-hydroxy-3,5-dimethoxy-benzoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Syringate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
methyl syringate
Role
alias
Source
TCMBank
Preferred
No
Name
methyl-4-hydroxy-3, 5-dimethoxybenzoate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Methyl-4-Hydroxy-3, 5-Dimethoxybenzoate884-35-5Benzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl esterCHEBI:45820MFCD00017199Methyl 3,5-dimethoxy-4-hydroxybenzoateMethyl 4-hydroxy-3,5-dimethoxybenzoateMethyl syringateSyringic acid methyl esterW5A196MP8Amethyl 4-hydroxy-3,5-dimethoxy-benzoateSyringate
Cross References
Trusted external identifiers retained for this final record.
Hit
C0614
Herb
HBIN035013HBIN035429HBIN045283
Npass
NPC277728
Tcmid
147263353440635
Sym Map
SMIT25416SMIT26990
Pub Chem
70164
Tcmbank
TCMBANKIN061746
Itcmdb Generated
ITX-INGREDIENT-5669183055B9ITX-INGREDIENT-0D7ED169A921
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H12O5/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5,11H,1-3H3
Mol Wt
212.201
Smiles
COC1=CC(=CC(=C1O)OC)C(=O)OC
Mol Log P
1.196
Version
v2
In Ch Ikey
ZMXJAEGJWHJMGX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.762
Num Hacceptors
5
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C(=O)OC
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C(=O)OC
Herb Alias Names
Methyl syringate884-35-5Methyl 4-hydroxy-3,5-dimethoxybenzoateMethyl 3,5-dimethoxy-4-hydroxybenzoateBenzoic acid, 4-hydroxy-3,5-dimethoxy-, methyl esterSyringic acid methyl estermethyl 4-hydroxy-3,5-dimethoxy-benzoateW5A196MP8ACHEBI:45820MFCD00017199
Molecular Weight
212.2 g/mol
Molecular Formula
C10H12O5
Molecular Formula
C10H12O5
Num Rotatable Bonds
3