8-Hydroxy-3,9-dimethoxypterocarpan
Basic information
- CAS
108335-31-5- Standard SMILES
COc1ccc2c(c1)OCC1c3cc(O)c(OC)cc3OC21- InChIKey
KIKDCPYSYOMXEJ-UHFFFAOYSA-N- Molecular formula
- C17H16O5
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.09977361
Overview
8-Hydroxy-3,9-dimethoxypterocarpan is a member of pterocarpans.
Names & identifiers
- Preferred name
- 8-Hydroxy-3,9-dimethoxypterocarpan
- IUPAC
- 3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
Names & synonyms
8-Hydroxy-3,9-dimethoxypterocarpan(6aR,11aR)-8-Hydroxy-3,9-dimethoxypterocarpanghl.PD_Mitscher_leg0.588CHEMBL283139CHEBI:174863(6aR, 11aR)-3-Hydroxy-8,9-dimethoxypterocarpan3,9-dimethoxy-6a,11a-dihydro-6H-[1]benzouro[3,2-c]chromen-8-ol3,9-dimethoxy-6a,11a-dihydro-6H-benzofuro[3,2-c]chromen-8-ol3,9-Dimethoxy-8-hydroxy-6a,-cis11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran
Database identifiers
- CAS
108335-31-5- PubChem CID
- 454891
- ChEMBL
CHEMBL283139- ChEBI
CHEBI:174863
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Melting Point129 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…