Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 8Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62457
- Core Entity Id
- 109475
- Source Entity Count
- 1
- Preferred Name
- 1,2-Dimethoxy-Benzene
- Name En
- Pubchem Id
- 7043
- Smiles Canonical
- COC1=CC=CC=C1OC
- Molecular Formula
- C8H10O2
- Molecular Weight
- 138.0700
- Inchikey
- ABDKAPXRBAPSQN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- 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
1,2-Dimethoxy-Benzene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,2-Dimethoxy-Benzene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,2-dimethoxybenzene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1,2-dimethoxybenzene
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20098
Etcm Ingredient
1,2-dimethoxybenzene
Itcmdb Generated
ITX-INGREDIENT-201AA7F687E8ITX-INGREDIENT-3B95410A67C7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
138.070
Molecular Formula
C8H10O2
Fda Maximum Daily Dose (Fdamdd)
0.020
Quantitative Estimate Of Drug Likeness（Qed）
0.619