Ptaerochromenol
Basic information
- CAS
17398-11-7- Standard SMILES
CC1(C)C=Cc2c(cc(O)c3c(=O)cc(CO)oc23)O1- InChIKey
QLDUXSCWWAQMTC-UHFFFAOYSA-N- Molecular formula
- C15H14O5
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.08412354
Overview
Ptaerochromenol is a member of chromenes.
Names & identifiers
- Preferred name
- Ptaerochromenol
- IUPAC
- 5-hydroxy-2-(hydroxymethyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
- English name
- Perforamone D
- Molecular formula
- C15H14O5
- Molecular weight
- 274.27
Names & synonyms
PtaerochromenolPerforamone D17398-11-7CHEMBL2204370C09029AC1L9C1K5-hydroxy-2-(hydroxymethyl)-8,8-dimethylpyrano[2,3-h]chromen-4-oneCHEBI:8623DTXSID90331698Q271081165-hydroxy-2-(hydroxymethyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one5-Hydroxy-2-(hydroxymethyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Show more names
Pterochromenol5-Hydroxy-2-hydroxymethyl-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one2-(Hydroxymethyl)-5-hydroxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 5-hydroxy-2-(hydroxymethyl)-8,8-dimethyl- (8CI,9CI)
Database identifiers
- CAS
17398-11-7- PubChem CID
- 441980
- DTXSID
DTXSID90331698- ChEMBL
CHEMBL2204370- ChEBI
CHEBI:8623- Nikkaji
- J14.302B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 479
Chemistry & industry
Additional notes
DefinitionChEBI: Ptaerochromenol is a member of chromenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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