01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 1beta,2alpha-epoxytagitinin c
- Molecular Formula
- C19H24O7
- Molecular Weight
- No data
- Canonical SMILES
- CC1=CC2C(C(CC(C3C(C1=O)O3)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2
- Isomeric SMILES
- C/C/1=C/[C@@H]2[C@@H]([C@@H](C[C@@]([C@H]3[C@H](C1=O)O3)(C)O)OC(=O)C(C)C)C(=C)C(=O)O2
- InChI
- InChI=1S/C19H24O7/c1-8(2)17(21)25-12-7-19(5,23)16-15(26-16)14(20)9(3)6-11-13(12)10(4)18(22)24-11/h6,8,11-13,15-16,23H,4,7H2,1-3,5H3/b9-6-/t11-,12-,13+,15+,16-,19-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.444
- 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.
Source Herbs
herb ingredient1 Herbs