01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 13
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Glucoraphanin
- Molecular Formula
- C12H23NO10S3
- Molecular Weight
- No data
- Canonical SMILES
- CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
- Isomeric SMILES
- CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
- InChI
- InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.090
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
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Direct relations and traceable candidates grouped by relation type.
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