Basic information
- CAS
446-06-0- Standard SMILES
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2- InChIKey
GWCPBEMISACTHQ-AWEZNQCLSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Overview
Luteoliflavan is a tetrahydroxyflavan in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It has a role as a plant metabolite. It derives from a hydride of a (2S)-flavan.
Names & identifiers
- Preferred name
- Luteoliflavan
- IUPAC
- (2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
Names & synonyms
Luteoliflavan3',4',5,7-tetrahydroxyflavan446-06-0(2S)-2-(3,4-dihydroxyphenyl)chromane-5,7-diolCHEBI:29620DTXSID30349217(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol2H-1-benzopyran-5,7-diol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S)-RefChem:154382DTXCID50300289InChI=1/C15H14O5/c16-9-6-12(18)10-2-4-14(20-15(10)7-9)8-1-3-11(17)13(19)5-8/h1,3,5-7,14,16-19H,2,4H2/t14-/m0/sAC1LD7GP
Show more names
SureCN8247927SCHEMBL8247927SCHEMBL20481590SCHEMBL30468829(2S)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-2H-1-BENZOPYRAN-5,7-DIOLC12122Q27104077
Database identifiers
- CAS
446-06-0- PubChem CID
- 643542
- DTXSID
DTXSID30349217- ChEBI
CHEBI:29620- Nikkaji
- J1.968.658B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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