Basic information
- CAS
24897-98-1- Standard SMILES
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2O- InChIKey
FSYDWKPCKNCRDI-ABLWVSNPSA-N- Molecular formula
- C15H14O6
- Average molar mass
- 290.27 g/mol
- Monoisotopic mass
- 290.07903816
Overview
3-deoxyleucocyanidin is a leucoanthocyanidin that is the 3-deoxy derivative of (2R,3S,4S)-leucocyanidin. It is a leucoanthocyanidin and a pentahydroxyflavan. It is functionally related to a (2R,3S,4S)-leucocyanidin.
Names & identifiers
- Preferred name
- Luteoforol
- IUPAC
- (2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
Names & synonyms
3-DeoxyleucocyanidinLuteoforol24897-98-1(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triolCHEBI:27686DTXSID901336190RefChem:154381DTXCID0017663282-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol830GM1N73B(2S)-luteoforol(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triol
Show more names
leucoluteolinidinSCHEMBL14339448SCHEMBL29929352LMPK12020170C05907Q3268003
Database identifiers
- CAS
24897-98-1- PubChem CID
- 440834
- DTXSID
DTXSID901336190- ChEBI
CHEBI:27686- Nikkaji
- J972.193B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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