Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62751
- Core Entity Id
- 109769
- Source Entity Count
- 1
- Preferred Name
- 3,5-Dimethoxy-4-Hydroxybenzaldehyde
- Name En
- Pubchem Id
- 8655
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C=O
- Molecular Formula
- C9H10O4
- Molecular Weight
- 182.0600
- Inchikey
- KCDXJAYRVLXPFO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.2219
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 55.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5-Dimethoxy-4-Hydroxybenzaldehyde
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,5-Dimethoxy-4-Hydroxybenzaldehyde
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,5-Dimethoxy-4-hydroxybenzaldehyde
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21031
Etcm Ingredient
3,5-Dimethoxy-4-hydroxybenzaldehyde
Itcmdb Generated
ITX-INGREDIENT-3C786C0EC840ITX-INGREDIENT-B0064EB61456
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
182.060
Molecular Formula
C9H10O4
Fda Maximum Daily Dose (Fdamdd)
0.078
Quantitative Estimate Of Drug Likeness（Qed）
0.714