01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Acetylshikonin
- Molecular Formula
- C18H18O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
- Isomeric SMILES
- CC(=CC[C@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C
- InChI
- InChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3/t15-/m1/s1
- Oral Bioavailability
- 62.388
- Drug Likeness
- 0.500
- 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
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Active Targets
ingredient target8 Targets