01
No data
Jian Xing Si Guo Xiang Cha Cai / Isodon Shikokiana Var. Intermedius
Jian Xing Si Guo Xiang Cha CaiIsodon Shikokiana Var. Intermedius
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Shikodonin
- Molecular Formula
- C20H26O6
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCCC3(C1C(OC2)O)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O
- Isomeric SMILES
- C[C@@]12CCC[C@@]3([C@@H]1[C@H](OC2)O)COC(=O)[C@]45[C@H]3[C@@H](C[C@H](C4)C(=C)C5=O)O
- InChI
- InChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h11-14,16,21,23H,1,3-9H2,2H3/t11-,12-,13+,14-,16+,18+,19-,20+/m1/s1
- Oral Bioavailability
- 78.157
- Drug Likeness
- 0.382
- 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
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