Basic information
- CAS
68455-08-3- Standard SMILES
CC(C)=CCc1c(O)cc2c(c1C)Oc1c(C=O)c(O)cc(C)c1C(=O)O2- InChIKey
YCVIERNKAZOGOU-UHFFFAOYSA-N- Molecular formula
- C21H20O6
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.12598835
Overview
mollicellin G has been reported in Chaetomium uniapiculatum with data available.
Names & identifiers
- Preferred name
- Mollicellin G
- IUPAC
- 3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
- English name
- mollicellin G
- Molecular formula
- C21H20O6
- Molecular weight
- 368.38
Names & synonyms
Mollicellin G68455-08-3M39FZR61JTDTXSID302185703,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde3,9-dihydroxy-1,7-dimethyl-2-(3-methylbut-2-enyl)-6-oxobenzo(b)(1,4)benzodioxepine-10-carbaldehydeRefChem:159346DTXCID8014106111H-Dibenzo(b,e)(1,4)dioxepin-4-carboxaldehyde, 3,8-dihydroxy-1,6-dimethyl-7-(3-methyl-2-butenyl)-11-oxo-UNII-M39FZR61JTQ2728342711H-DIBENZO(B,E)(1,4)DIOXEPIN-4-CARBOXALDEHYDE, 3,8-DIHYDROXY-1,6-DIMETHYL-7-(3-METHYL-2-BUTEN-1-YL)-11-OXO-
Show more names
11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 3,8-dihydroxy-1,6-dimethyl-7-(3-methyl-2-buten-1-yl)-11-oxo-
3,8-dihydroxy-1,6-dimethyl-7-(3-methylbut-2-en-1-yl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Physicochemical properties
- FDA UNII
- 39 FZR61JT · M39FZR61JT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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