01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Siegesmethyletheric acid
- Molecular Formula
- C21H34O3
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCCC(C1CCC34C2CCC(C3)C(C4)COC)(C)C(=O)O
- Isomeric SMILES
- C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@H](C4)COC)(C)C(=O)O
- InChI
- InChI=1S/C21H34O3/c1-19-8-4-9-20(2,18(22)23)16(19)7-10-21-11-14(5-6-17(19)21)15(12-21)13-24-3/h14-17H,4-13H2,1-3H3,(H,22,23)/t14-,15-,16+,17+,19-,20-,21+/m1/s1
- Oral Bioavailability
- 60.716
- Drug Likeness
- 0.810
- 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.
Active Targets
ingredient target7 Targets