01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 15
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Isoramanone
- Molecular Formula
- C21H32O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)C1CCC2(C1(C(CC3C2CC=C4C3(CCC(C4)O)C)O)C)O
- Isomeric SMILES
- CC(=O)[C@H]1CC[C@]2(C1([C@@H](CC3C2CC=C4C3(CC[C@@H](C4)O)C)O)C)O
- InChI
- InChI=1S/C21H32O4/c1-12(22)15-7-9-21(25)16-5-4-13-10-14(23)6-8-19(13,2)17(16)11-18(24)20(15,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16?,17?,18+,19?,20?,21-/m0/s1
- Oral Bioavailability
- 39.967
- Drug Likeness
- 0.637
- 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 ingredient8 Herbs
02
03
冬瓜皮
Dong Gua Pi / Benincasae Exocarpium; Exocarpium Benincasae
Dong Gua PiBenincasae Exocarpium; Exocarpium Benincasae
04
05
06
07
08