01
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 27
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Lobetyolin
- Molecular Formula
- C20H28O8
- Molecular Weight
- No data
- Canonical SMILES
- CC=CC#CC#CC(C(C=CCCCO)OC1C(C(C(C(O1)CO)O)O)O)O
- Isomeric SMILES
- C/C=C/C#CC#CC(C(/C=C/CCCO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
- InChI
- InChI=1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14?,15?,16-,17-,18+,19-,20-/m1/s1
- Oral Bioavailability
- 18.813
- Drug Likeness
- 0.165
- 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 ingredient4 Herbs
02
半边莲
Ban Bian Lian / Herba Lobeliae Chinensis; Lobeliae Chinensis Herba
Ban Bian LianHerba Lobeliae Chinensis; Lobeliae Chinensis Herba
03
04