01
Ingredients
(1r,4r,6s,8ar)-1-(3-furyl)-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1h-isochromen-3-one
C15H18O5
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (1r,4r,6s,8ar)-1-(3-furyl)-4,6-dihydroxy-5,8a-dimethyl-4,6,7,8-tetrahydro-1h-isochromen-3-one
- Molecular Formula
- C15H18O5
- Molecular Weight
- No data
- Canonical SMILES
- CC1=C2C(C(=O)OC(C2(CCC1O)C)C3=COC=C3)O
- Isomeric SMILES
- CC1=C2[C@H](C(=O)O[C@H]([C@@]2(CC[C@@H]1O)C)C3=COC=C3)O
- InChI
- InChI=1S/C15H18O5/c1-8-10(16)3-5-15(2)11(8)12(17)14(18)20-13(15)9-4-6-19-7-9/h4,6-7,10,12-13,16-17H,3,5H2,1-2H3/t10-,12+,13-,15+/m0/s1
- Oral Bioavailability
- 49.092
- Drug Likeness
- 0.604
- 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