Isotrifoliol
Basic information
- CAS
329319-08-6- Standard SMILES
COc1cc(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12- InChIKey
OVLUQDOJWGTPHA-UHFFFAOYSA-N- Molecular formula
- C16H10O6
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.04773803
Overview
Isotrifoliol is a member of coumestans.
Names & identifiers
- Preferred name
- Isotrifoliol
- IUPAC
- 3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one
Names & synonyms
Isotrifoliol329319-08-6529JR7020Z6H-Benzofuro(3,2-C)(1)benzopyran-6-one, 3,9-dihydroxy-1-methoxy-3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one3,9-dihydroxy-1-methoxy-(1)benzofuro(3,2-c)chromen-6-one5,14-dihydroxy-3-methoxy-8,17-dioxatetracyclo(8.7.0.0^(2,7).0^(11,16))heptadeca-1(10),2,4,6,11,13,15-heptaen-9-one5,14-dihydroxy-3-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2,4,6,11,13,15-heptaen-9-oneRefChem:40315UNII-529JR7020ZisotrifloliolSCHEMBL15383648
Show more names
3,9-Dihydroxy-1-methoxycoumestanCHEBI:174837Q272609893,9-dihydroxy-1-methoxy-[1]benzouro[3,2-c]chromen-6-one
Database identifiers
- CAS
329319-08-6- PubChem CID
- 5318679
- ChEBI
CHEBI:174837- UNII
- 529JR7020Z
- Nikkaji
- J1.515.191I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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