01
Ingredients
(1r,3as,4s,8ar)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
C15H26O3
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,3as,4s,8ar)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
- Molecular Formula
- C15H26O3
- Molecular Weight
- No data
- Canonical SMILES
- CC1(CCC(=CC2C1CCC2(C)O)C(C)(C)O)O
- Isomeric SMILES
- C[C@@]1(CCC(=C[C@@H]2[C@@H]1CC[C@@]2(C)O)C(C)(C)O)O
- InChI
- InChI=1S/C15H26O3/c1-13(2,16)10-5-7-14(3,17)11-6-8-15(4,18)12(11)9-10/h9,11-12,16-18H,5-8H2,1-4H3/t11-,12+,14-,15+/m0/s1
- Oral Bioavailability
- 57.860
- Drug Likeness
- 0.627
- 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.
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herb ingredient1 Herbs