01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Abyssinone v-4'-methyl ether
- Molecular Formula
- C26H30O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C
- Isomeric SMILES
- CC(=CCC1=CC(=CC(=C1OC)CC=C(C)C)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)C
- InChI
- InChI=1S/C26H30O5/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/h6-7,10-13,23,27-28H,8-9,14H2,1-5H3/t23-/m0/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.573
- 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 ingredient2 Herbs