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曼陀罗叶
Man Tuo Luo Ye / Folium Daturae Metelis; Folium Daturae Innoxiae
Man Tuo Luo YeFolium Daturae Metelis; Folium Daturae Innoxiae
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Datumetelin
- Molecular Formula
- C29H40O5
- Molecular Weight
- No data
- Canonical SMILES
- CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5COC)C)CC=C6C3(C(=O)C=CC6)C
- Isomeric SMILES
- C[C@]12CCC3C(C1CCC2[C@@H]4CO[C@]5(C[C@@H]4OC(=O)C5COC)C)CC=C6[C@@]3(C(=O)C=CC6)C
- InChI
- InChI=1S/C29H40O5/c1-27-13-12-22-18(9-8-17-6-5-7-25(30)29(17,22)3)20(27)10-11-21(27)19-15-33-28(2)14-24(19)34-26(31)23(28)16-32-4/h5,7-8,18-24H,6,9-16H2,1-4H3/t18?,19-,20?,21?,22?,23?,24-,27-,28-,29-/m0/s1
- Oral Bioavailability
- 56.040
- Drug Likeness
- 0.436
- 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.