4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
Basic information
- CAS
130289-28-0- Standard SMILES
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)CC(C(C)(C)O)O2- InChIKey
LKFQSODZCVNSSG-UHFFFAOYSA-N- Molecular formula
- C25H26O6
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.17293854
Overview
4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one has been reported in Euchresta horsfieldii, Euchresta japonica, and other organisms with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
- IUPAC
- 4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
- English name
- euchrenone b10
- Molecular formula
- C25H26O6
- Molecular weight
- 422.47
Names & synonyms
4-hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-oneCHEMBL2159049139051-61-9Echrenone B10SCHEMBL571169DTXSID10926666BDBM50394205LMPK120501852-(1-Hydroxy-1-methylethyl)-4-hydroxy-6-(4-hydroxyphenyl)-9-(3-methyl-2-butenyl)-2,3-dihydro-5H-furo[3,2-g][1]benzopyran-5-one4-Hydroxy-6-(4-hydroxyphenyl)-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-en-1-yl)-2,3-dihydro-5H-furo[3,2-g][1]benzopyran-5-oneIsosenegalenseineuchrenone b10
Show more names
3-(4-Hydroxyphenyl)-5-hydroxy-6-prenyl-8-(1-hydroxy-1-methylethyl)-8,9-dihydro-4H-furo[2,3-h]-1-benzopyran-4-one3-(4-Hydroxyphenyl)-5-hydroxy-6-(3-methyl-2-butenyl)-8-(2-hydroxypropan-2-yl)-8,9-dihydro-4H-furo[2,3-h]-1-benzopyran-4-one3-(4-Hydroxyphenyl)-5-hydroxy-6-(3-methyl-2-butenyl)-8-(1-hydroxy-1-methylethyl)-8,9-dihydro-4H-furo[2,3-h][1]benzopyran-4-one5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-6-(4-hydroxyphenyl)-9-(3-methyl-2-buten-1-yl)-
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 743
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Physicochemical properties
- Boiling point
- 656.9 · 656.9±55.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- 6.73 · 6.73±0.40(Predicted)
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