Basic information
- CAS
21860-31-1- Standard SMILES
CC1(C)Oc2cc3oc(=O)ccc3cc2CC1O- InChIKey
BGXFQDFSVDZUIW-UHFFFAOYSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.08920892
Overview
Aegelinol is a member of coumarins.
Names & identifiers
- Preferred name
- Npc319389
- IUPAC
- 3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Names & synonyms
RefChem:1093096Npc3193895993-18-0(+/-)-Decursinol3',4'-dihydro-3'-hydroxy-Xanthyletin(+/-)-Prantschimgin( inverted exclamation markA)-DecursinolDL-Decursinol7-Hydroxy-8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one(??)-Decursinol(? currency)-Decursinolorb1299118
Show more names
SCHEMBL3895912CHEMBL4129793SCHEMBL29517185CHEBI:167957(+/-)-Prantschimgin(Decursinol)?HY-N25677-hydroxy-8,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromen-2-oneMSK190101
Database identifiers
- CAS
21860-31-1- PubChem CID
- 600671
- ChEMBL
CHEMBL4129793- ChEBI
CHEBI:167957- Nikkaji
- J81.127K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 387
Experimental & physicochemical properties
Melting Point181.5 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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