Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 12Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70307
- Core Entity Id
- 132956
- Source Entity Count
- 1
- Preferred Name
- benzene-1,2,3-triol
- Name En
- Pubchem Id
- 1057
- Smiles Canonical
- C1=CC(=C(C(=C1)O)O)O
- Molecular Formula
- C6H6O3
- Molecular Weight
- 126.0300
- Inchikey
- WQGWDDDVZFFDIG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.5000
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 60.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
benzene-1,2,3-triol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
benzene-1,2,3-triol
Itcmdb Generated
ITX-INGREDIENT-4FED0CBBE2E1
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
126.030
Molecular Formula
C6H6O3
Fda Maximum Daily Dose (Fdamdd)
0.028
Quantitative Estimate Of Drug Likeness（Qed）
0.450