01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 7
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Cimicifugamide
- Molecular Formula
- C25H31NO10
- Molecular Weight
- No data
- Canonical SMILES
- COC1=C(C=CC(=C1)CCNC(=O)C=CC2=CC(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)OC)O
- Isomeric SMILES
- COC1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OC)O
- InChI
- InChI=1S/C25H31NO10/c1-33-18-11-15(3-6-16(18)28)9-10-26-21(29)8-5-14-4-7-17(19(12-14)34-2)35-25-24(32)23(31)22(30)20(13-27)36-25/h3-8,11-12,20,22-25,27-28,30-32H,9-10,13H2,1-2H3,(H,26,29)/b8-5+/t20-,22+,23+,24-,25-/m1/s1
- Oral Bioavailability
- 22.015
- Drug Likeness
- 0.241
- 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.
Source Herbs
herb ingredient6 Herbs
02
升麻
Sheng Ma / Rhizoma Cimicifugae; Cimicifugae Rhizoma
Sheng MaRhizoma Cimicifugae; Cimicifugae Rhizoma
03
04
05
06