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
- 66094
- Core Entity Id
- 128743
- Source Entity Count
- 1
- Preferred Name
- 1,3-dimethoxybenzene
- Name En
- Pubchem Id
- 9025
- Smiles Canonical
- COC1=CC(=CC=C1)OC
- Molecular Formula
- C8H10O2
- Molecular Weight
- 138.0700
- Inchikey
- DPZNOMCNRMUKPS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 18.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3-dimethoxybenzene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1,3-dimethoxybenzene
Itcmdb Generated
ITX-INGREDIENT-821BADCE4131
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
138.070
Molecular Formula
C8H10O2
Fda Maximum Daily Dose (Fdamdd)
0.048
Quantitative Estimate Of Drug Likeness（Qed）
0.619