01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 11-keto-alpha-amyrenone
- Molecular Formula
- C30H46O2
- Molecular Weight
- No data
- Canonical SMILES
- CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C
- Isomeric SMILES
- C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C
- InChI
- InChI=1S/C30H46O2/c1-18-9-12-27(5)15-16-29(7)20(24(27)19(18)2)17-21(31)25-28(6)13-11-23(32)26(3,4)22(28)10-14-30(25,29)8/h17-19,22,24-25H,9-16H2,1-8H3/t18-,19+,22+,24+,25-,27-,28+,29-,30-/m1/s1
- Oral Bioavailability
- 13.547
- Drug Likeness
- 0.394
- 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