01
Ingredients
(1s,4as,10ar)-7-isopropyl-1,4a-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
C20H26O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1s,4as,10ar)-7-isopropyl-1,4a-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- Molecular Formula
- C20H26O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1=CC(=O)C2=C(C1=O)CCC3C2(CCCC3(C)C(=O)O)C
- Isomeric SMILES
- CC(C)C1=CC(=O)C2=C(C1=O)CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)O)C
- InChI
- InChI=1S/C20H26O4/c1-11(2)13-10-14(21)16-12(17(13)22)6-7-15-19(16,3)8-5-9-20(15,4)18(23)24/h10-11,15H,5-9H2,1-4H3,(H,23,24)/t15-,19+,20+/m1/s1
- Oral Bioavailability
- 29.077
- Drug Likeness
- 0.784
- 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
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Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient2 Herbs