Basic information
- CAS
527-93-5- Standard SMILES
COc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2- InChIKey
AXZCNBVMHHTPKA-UHFFFAOYSA-N- Molecular formula
- C16H10Cl4O5
- Average molar mass
- 424.1 g/mol
- Monoisotopic mass
- 421.92823414
Overview
Diploicin is a carbonyl compound.
Names & identifiers
- Preferred name
- Diploicin
- IUPAC
- 2,4,8,10-tetrachloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
- English name
- 2,4,7,9-Tetrachloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one
- Molecular formula
- C16H10Cl4O5
- Molecular weight
- 424.06
Names & synonyms
DiploicinDiploicine527-93-5UNII-9RSX18V7BB9RSX18V7BB2,4,8,10-tetrachloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-oneDIPLOICIN [MI]NSC 5468NSC-5468DTXSID602006653,5-DICHLORO-6-((3,5-DICHLORO-6-HYDROXY-4-METHOXY-O-TOLYL)OXY)-4,2-CRESOTIC ACID .EPSILON.-LACTONE4,2-CRESOTIC ACID, 3,5-DICHLORO-6-(3,5-DICHLORO-6-HYDROXY-4-METHOXY-O-TOLYLOXY)-, .EPSILON.-LACTONE
Show more names
3,5-Dichloro-6-(3,5-dichloro-6-hydroxy-4-Methoxy-o-tolyloxy)-4,2-cresotic Acid ε-Lactone2,4,7,9-Tetrachloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,4,7,9-tetrachloro-3-hydroxy-8-methoxy-1,6-dimethyl-5,6'-DiMethyl-2',3-dihydroxy-4'-Methoxy- 2,3',4,5'-tetrachloro-6-carboxydiphenyl ether 2',6-Lactone
5,6'-DIMETHYL-2',3-DIHYDROXY-4'-METHOXY-2,3',4,5'-TETRACHLORO-6-CARBOXYDIPHENYL ETHER 2',6-LACTONE2,4,8,10-tetrachloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo(b)(1,4)benzodioxepin-6-oneRefChem:134766DTXCID9012315611H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2,4,7,9-tetrachloro-3-hydroxy-8-methoxy-1,6-dimethyl-(8CI)11H-Dibenzo(b,e)(1,4)dioxepin-11-one, 2,4,7,9-tetrachloro-3-hydroxy-8-methoxy-1,6-dimethyl-(8CI)(9CI)3,5-DICHLORO-6-((3,5-DICHLORO-6-HYDROXY-4-METHOXY-O-TOLYL)OXY)-4,2-CRESOTIC ACID EPSILON-LACTONE4,2-CRESOTIC ACID, 3,5-DICHLORO-6-(3,5-DICHLORO-6-HYDROXY-4-METHOXY-O-TOLYLOXY)-, EPSILON-LACTONE
Database identifiers
- CAS
527-93-5- PubChem CID
- 68244
- DTXSID
DTXSID60200665- ChEMBL
CHEMBL1079645- ChEBI
CHEBI:144143- UNII
- 9RSX18V7BB
- Nikkaji
- J11.699H
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Melting point
- 233 · 233-234°
- Boiling point
- 592.9 · 592.9±50.0 °C(Predicted)
- Density
- 1.5325 · 1.5325 (estimate)
- pka
- 4.87 · 4.87±0.20(Predicted)
- FDA UNII
- 9 RSX18V7BB · 9RSX18V7BB
Chemistry & industry
Applications
UsesDiploicin is an antibiotic isolated from the lichen Buellia canescens.
Suppliers4 total
凯试(上海)科技有限公司021-50135380 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: Diploicin is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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