01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Boehmeriasin a
- Molecular Formula
- C24H27NO3
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC2=C(C=C1)C3=C(CN4CCCCC4C3)C5=CC(=C(C=C52)OC)OC
- Isomeric SMILES
- COC1=CC2=C(C=C1)C3=C(CN4CCCC[C@H]4C3)C5=CC(=C(C=C52)OC)OC
- InChI
- InChI=1S/C24H27NO3/c1-26-16-7-8-17-18-10-15-6-4-5-9-25(15)14-22(18)21-13-24(28-3)23(27-2)12-20(21)19(17)11-16/h7-8,11-13,15H,4-6,9-10,14H2,1-3H3/t15-/m0/s1
- Oral Bioavailability
- No data
- 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 ingredient1 Herbs