01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Burttinonedehydrate
- Molecular Formula
- C26H28O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C=CC(=C)C)OC)C
- Isomeric SMILES
- CC(=CCC1=C(C(=CC(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)/C=C/C(=C)C)OC)C
- InChI
- InChI=1S/C26H28O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h6-8,10-13,23,27-28H,1,9,14H2,2-5H3/b8-6+/t23-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.449
- 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