Chaetocyclinone A
Basic information
- CAS
943967-92-8- Standard SMILES
COC(=O)c1cc(OC)c(O)c2oc3c(c(=O)c12)C(OC)OC(C)=C3- InChIKey
MUNKFZROFNVDJU-UHFFFAOYSA-N- Molecular formula
- C17H16O8
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.08451746
Overview
Chaetocyclinone A is an organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by methoxy, methyl, hydroxy, methoxy, methoxycarbonyl, and oxo groups at positions 1, 3, 6, 7, 9 and 10, respectively. It is produced by cultures of Chaetomium sp. G 100/2, which was isolated from marine algae. It has a role as a marine metabolite and a fungal metabolite. It is a methyl ester, a polyketide, an organic heterotricyclic compound, a member of phenols, an aromatic ether, a cyclic ether and a cyclic ketone.
Names & identifiers
- Preferred name
- Chaetocyclinone A
- IUPAC
- methyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H-pyrano[4,3-b]chromene-9-carboxylate
Names & synonyms
Chaetocyclinone ACHEBI:192346methyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H,10H-pyrano[4,3-b]chromene-9-carboxylatemethyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H,10H-pyrano[4,3-b][1]benzopyran-9-carboxylatemethyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H,10H-pyrano(4,3-b)chromene-9-carboxylatemethyl 6-hydroxy-1,7-dimethoxy-3-methyl-10-oxo-1H,10H-pyrano(4,3-b)(1)benzopyran-9-carboxylateRefChem:124882DTXSID701043587943967-92-8
Database identifiers
- CAS
943967-92-8- PubChem CID
- 16655650
- DTXSID
DTXSID701043587- ChEBI
CHEBI:192346- Nikkaji
- J2.461.690H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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