Basic information
- CAS
18500-63-5- Standard SMILES
COc1c2c(c(C(=O)O)c3ccncc13)CC(C)(C)C2- InChIKey
FSBVQCVHOXXMGN-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Overview
Illudinine is a methoxybenzoic acid.
Names & identifiers
- Preferred name
- Illudinine
- IUPAC
- 9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-5-carboxylic acid
- English name
- 7,8-Dihydro-9-methoxy-7,7-dimethyl-6H-cyclopent[g]isoquinoline-5-carboxylic acid
- Molecular formula
- C16H170
- Molecular weight
- 0
Names & synonyms
ILLUDININE18500-63-59AG1G13T0DNSC-1350509-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta[g]isoquinoline-5-carboxylic acidDTXSID803001366H-Cyclopent(g)isoquinoline-5-carboxylic acid, 7,8-dihydro-9-methoxy-7,7-dimethyl-9-methoxy-7,7-dimethyl-6,8-dihydrocyclopenta(g)isoquinoline-5-carboxylic acidRefChem:147885DTXCID40251271UNII-9AG1G13T0DIlludimine
Show more names
7,8-Dihydro-9-methoxy-7,7-dimethyl-6H-cyclopent[g]isoquinoline-5-carboxylic acid
9-methoxy-7,7-dimethyl-7,8-dihydro-6h-cyclopenta[g]isoquinoline-5-carboxylic acidorb3136304SCHEMBL30527878CHEBI:216417NSC135050T211920Q27272273
Database identifiers
- CAS
18500-63-5- PubChem CID
- 282002
- DTXSID
DTXSID80300136- ChEBI
CHEBI:216417
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- FDA UNII
- 9 AG1G13T0D · 9AG1G13T0D
Chemistry & industry
Applications
DescriptionA sesquiterpenoid alkaloid found as a metabolite of Clitocybe illudens. On decarboxylation, the methoxyl group is simultaneously cleaved to yield 7: 7- dimethyl-9-hydroxy-6: 7 -dihydro-8H-cyclopenta [g l-isoq uinoline.
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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