01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Tetraneurin a
- Molecular Formula
- C17H22O6
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OCC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C
- Isomeric SMILES
- CC(=O)OC[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(CCC3=O)O)C)OC(=O)C2=C
- InChI
- InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1
- Oral Bioavailability
- 35.399
- Drug Likeness
- 0.606
- 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 ingredient8 Herbs
02
03
04
05
06
07
08
防己
Fang Ji / Stephaniae Tetrandrae Radix; Radix Stephaniae Tetrandrae
Fang JiStephaniae Tetrandrae Radix; Radix Stephaniae Tetrandrae