01
Ingredients
(3s,6s)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone
C18H18N2O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (3s,6s)-3-(benzyl)-6-(4-hydroxybenzyl)piperazine-2,5-quinone
- Molecular Formula
- C18H18N2O3
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC=C(C=C1)CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O
- Isomeric SMILES
- C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC3=CC=C(C=C3)O
- InChI
- InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1
- Oral Bioavailability
- 46.889
- Drug Likeness
- 0.793
- 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