01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 7-oxodehydroabieticacid
- Molecular Formula
- C20H26O3
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2=O)(C)C(=O)O)C
- Isomeric SMILES
- CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)O)C
- InChI
- InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.871
- 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 ingredient1 Herbs