01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 7-fernene
- Molecular Formula
- C30H50
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1CCC2C1(CCC3(C2(CCC4C3=CCC5C4(CCCC5(C)C)C)C)C)C
- Isomeric SMILES
- CC(C)C1CC[C@@H]2C1(CC[C@]3(C2(CCC4C3=CCC5[C@@]4(CCCC5(C)C)C)C)C)C
- InChI
- InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h11,20-22,24-25H,9-10,12-19H2,1-8H3/t21?,22?,24?,25-,27-,28?,29-,30?/m1/s1
- Oral Bioavailability
- 7.034
- Drug Likeness
- 0.378
- 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 ingredient2 Herbs