Basic information
- CAS
320369-80-0- Standard SMILES
CCC(C)/C=C(\C)C1=Cc2cc3c(c(O)c2C(OC)O1)C(=O)C(=O)C(OC)=C3- InChIKey
FBVTWLBYMYCVOT-KPKJPENVSA-N- Molecular formula
- C22H24O6
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.15728848
Overview
Laccaridione A is an organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by a hydroxy group at position 10, methoxy groups at positions 1 and 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases. It has a role as a metabolite and a protease inhibitor. It is a member of orthoquinones, an organic heterotricyclic compound, a member of phenols, a member of isochromenes, an enol ether and a cyclic acetal.
Names & identifiers
- Preferred name
- Laccaridione A
- IUPAC
- 10-hydroxy-1,7-dimethoxy-3-[(E)-4-methylhex-2-en-2-yl]-1H-benzo[g]isochromene-8,9-dione
- English name
- 1H-Naphtho[2,3-c]pyran-8,9-dione, 3-[(1E)-1,3-dimethyl-1-penten-1-yl]-10-hydroxy-1,7-dimethoxy-
- Molecular formula
- C22H24O6
- Molecular weight
- 384.42
Names & synonyms
Laccaridione A320369-80-0U01M8TW5RACHEBI:6654010-hydroxy-1,7-dimethoxy-3-[(2E)-4-methylhex-2-en-2-yl]-1H-benzo[g]isochromene-8,9-dione1H-Naphtho(2,3-C)pyran-8,9-dione, 3-((1E)-1,3-dimethyl-1-penten-1-yl)-10-hydroxy-1,7-dimethoxy-10-hydroxy-1,7-dimethoxy-3-[(E)-4-methylhex-2-en-2-yl]-1H-benzo[g]isochromene-8,9-dione10-hydroxy-1,7-dimethoxy-3-((E)-4-methylhex-2-en-2-yl)-1H-benzo(g)isochromene-8,9-dione10-hydroxy-1,7-dimethoxy-3-((2E)-4-methylhex-2-en-2-yl)-1H-benzo(g)isochromene-8,9-dioneRefChem:152017UNII-U01M8TW5RAorb3023097
Show more names
Laccaridione A，B1H-Naphtho[2,3-c]pyran-8,9-dione, 3-[(1E)-1,3-dimethyl-1-penten-1-yl]-10-hydroxy-1,7-dimethoxy-
SCHEMBL29711108HY-N14772TN9960Q27135148
Database identifiers
- CAS
320369-80-0- PubChem CID
- 9952015
- ChEBI
CHEBI:66540- UNII
- U01M8TW5RA
- Nikkaji
- J1.449.703J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 733
Physicochemical properties
- Boiling point
- 556.4 · 556.4±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.40(Predicted)
- FDA UNII
- 1 M8TW5RA · U01M8TW5RA
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Additional notes
DefinitionChEBI: Laccaridione A is an organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by a hydroxy group at position 10, methoxy groups at positions 1 and 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases. It has a role as a metabolite and a protease inhibitor. It is a member of isochromenes, an organic heterotricyclic compound, a member of phenols, a member of orthoquinones, a cyclic acetal and an enol ether.
Related reactions
0 records
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Compound notes
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