Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64043
- Core Entity Id
- 111061
- Source Entity Count
- 1
- Preferred Name
- Indoxyl Sulfate
- Name En
- Pubchem Id
- 10258
- Smiles Canonical
- C1=CC=C2C(=C1)C(=CN2)OS(=O)(=O)O
- Molecular Formula
- C8H7NO4S
- Molecular Weight
- 213.2100
- Inchikey
- BXFFHSIDQOFMLE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 87.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Indoxyl Sulfate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Indoxyl Sulfate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24601
Pub Chem
10258
Itcmdb Generated
ITX-INGREDIENT-4B2B9D61AFCB
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
Version
v2
Suppress
0
Molecule Formula
C8H7NO4S