01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Lobelanidine
- Molecular Formula
- C22H29NO2
- Molecular Weight
- No data
- Canonical SMILES
- CN1C(CCCC1CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O
- Isomeric SMILES
- CN1[C@H](CCC[C@H]1C[C@@H](C2=CC=CC=C2)O)C[C@H](C3=CC=CC=C3)O
- InChI
- InChI=1S/C22H29NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3/t19-,20+,21-,22+
- Oral Bioavailability
- 60.530
- Drug Likeness
- 0.833
- 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
半边莲
Ban Bian Lian / Herba Lobeliae Chinensis; Lobeliae Chinensis Herba
Ban Bian LianHerba Lobeliae Chinensis; Lobeliae Chinensis Herba
03
04
土荆皮
Tu Jing Pi / Pseudolaricis Cortex; Cortex Pseudolaricis
Tu Jing PiPseudolaricis Cortex; Cortex Pseudolaricis
05
白芷
Bai Zhi / Radix Angelicae Dahuricae; Angelicae Dahuricae Radix
Bai ZhiRadix Angelicae Dahuricae; Angelicae Dahuricae Radix
06
白薇
Bai Wei / Cynanchi Atrati Radix et Rhizoma; Radix et Rhizoma Cynanchi Atrati
Bai WeiCynanchi Atrati Radix et Rhizoma; Radix et Rhizoma Cynanchi Atrati
07
08