01
Ingredients
(1r,3ar,4s,7r,8s,8as)-7-isopropyl-1,4-dimethyl-3,3a,5,6,8,8a-hexahydro-2h-azulene-1,4,7,8-tetrol
C15H28O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,3ar,4s,7r,8s,8as)-7-isopropyl-1,4-dimethyl-3,3a,5,6,8,8a-hexahydro-2h-azulene-1,4,7,8-tetrol
- Molecular Formula
- C15H28O4
- Molecular Weight
- No data
- Canonical SMILES
- CC(C)C1(CCC(C2CCC(C2C1O)(C)O)(C)O)O
- Isomeric SMILES
- CC(C)[C@@]1(CC[C@]([C@@H]2CC[C@@]([C@@H]2[C@@H]1O)(C)O)(C)O)O
- InChI
- InChI=1S/C15H28O4/c1-9(2)15(19)8-7-13(3,17)10-5-6-14(4,18)11(10)12(15)16/h9-12,16-19H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m1/s1
- Oral Bioavailability
- 70.108
- Drug Likeness
- 0.575
- 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
