2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-pyrano(2',3':6,7)benzofuro(3,2-c)(1)benzopyran-7-one
Basic information
- CAS
18979-00-5- Standard SMILES
CC1(C)CCc2c(ccc3c2oc2c4ccc(O)cc4oc(=O)c32)O1- InChIKey
GSAVLDZAGYKJSO-UHFFFAOYSA-N- Molecular formula
- C20H16O5
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.09977361
Overview
Sojagol is a member of the class of coumestans that is coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10. It has a role as a plant metabolite. It is a delta-lactone, a member of phenols and a member of coumestans. It is functionally related to a coumestan.
Names & identifiers
- Preferred name
- 2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-pyrano(2',3':6,7)benzofuro(3,2-c)(1)benzopyran-7-one
- IUPAC
- 7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one
- English name
- 3-Hydroxy-9,10-(2,2-dimethyl-1-oxabutane-1,4-diyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one
- Molecular formula
- C20H16O5
- Molecular weight
- 0
Names & synonyms
SojagolSoyagol18979-00-5CHEBI:9183DTXSID701724007-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo(11.8.0.02,11.05,10.014,19)henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-oneRefChem:1059356DTXCID20948912,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-pyrano(2',3':6,7)benzofuro(3,2-c)(1)benzopyran-7-one10-hydroxy-3,3-dimethyl-2,3-dihydro-1H,7H-pyrano[2',3':6,7][1]benzofuro[3,2-c][1]benzopyran-7-oneSCHEMBL30637608
Show more names
2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-furo[3,2-c:5,4-f']bis[1]benzopyran-7-one3-Hydroxy-9,10-(2,2-dimethyl-1-oxabutane-1,4-diyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one
GSAVLDZAGYKJSO-UHFFFAOYSA-NLMPK120900121H,7H-Furo[3,2-c:5,4-f']bis[1]benzopyran-7-one, 2,3-dihydro-10-hydroxy-3,3-dimethyl-Q271083022,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-furo[2,3-c:5,4-f']bis[1]benzopyran-7-one, 9CI
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 560
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Coumestan flavonoids [PK1209]
Melting Point284 - 286 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: A member of the class of coumestans that is coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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