01
丹参
Dan Shen / Radix et Rhizoma Salviae Miltiorrhizae; Salviae Miltiorrhizae Radix et Rhizoma
Dan ShenRadix et Rhizoma Salviae Miltiorrhizae; Salviae Miltiorrhizae Radix et Rhizoma
- Entity Type
- Ingredients
- Relation Groups
- 4
- Relation Preview
- 32
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Rosmarinic acid
- Molecular Formula
- C18H16O8
- Molecular Weight
- No data
- Canonical SMILES
- C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
- Isomeric SMILES
- C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
- InChI
- InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
- Oral Bioavailability
- 1.380
- Drug Likeness
- 0.298
- 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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