01
白术
Bai Zhu / Rhizoma Atractylodis Macrocephalae; Atractylodis Macrocephalae Rhizoma
Bai ZhuRhizoma Atractylodis Macrocephalae; Atractylodis Macrocephalae Rhizoma
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Tuberostemonone
- Molecular Formula
- C22H31NO6
- Molecular Weight
- No data
- Canonical SMILES
- CCC1C2CCCCN(C2=O)C(CC(=O)C3C1OC(=O)C3C)C4CC(C(=O)O4)C
- Isomeric SMILES
- CC[C@@H]1[C@@H]2CCCCN(C2=O)[C@@H](CC(=O)[C@H]3[C@H]1OC(=O)[C@H]3C)[C@@H]4C[C@@H](C(=O)O4)C
- InChI
- InChI=1S/C22H31NO6/c1-4-13-14-7-5-6-8-23(20(14)25)15(17-9-11(2)21(26)28-17)10-16(24)18-12(3)22(27)29-19(13)18/h11-15,17-19H,4-10H2,1-3H3/t11-,12-,13+,14-,15-,17-,18-,19-/m0/s1
- Oral Bioavailability
- 14.781
- Drug Likeness
- 0.654
- 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.