Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70308
- Core Entity Id
- 132957
- Source Entity Count
- 1
- Preferred Name
- benzene-1,2-diol
- Name En
- Pubchem Id
- 289
- Smiles Canonical
- C1=CC=C(C(=C1)O)O
- Molecular Formula
- C6H6O2
- Molecular Weight
- 110.0400
- Inchikey
- YCIMNLLNPGFGHC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.9000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
benzene-1,2-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
benzene-1,2-diol
Itcmdb Generated
ITX-INGREDIENT-34D0B979983D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
110.040
Molecular Formula
C6H6O2
Fda Maximum Daily Dose (Fdamdd)
0.022
Quantitative Estimate Of Drug Likeness（Qed）
0.491