Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
Basic information
- CAS
35818-31-6- Standard SMILES
CC1CCCC(CC2Cc3cc(O)cc(O)c3C(=O)O2)O1- InChIKey
WOMKDMUZNBFXKG-UHFFFAOYSA-N- Molecular formula
- C16H20O5
- Average molar mass
- 292.33 g/mol
- Monoisotopic mass
- 292.13107373
Overview
cladosporin has been reported in Alternaria alternata, Chaetomium globosum, and other organisms with data available.
Names & identifiers
- Preferred name
- Isocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-
- IUPAC
- 6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-one
Names & synonyms
AsperentinCladosporin; Asperentin6,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydroisochromen-1-oneIsocoumarin, 3,4-dihydro-6,8-dihydroxy-3-(6-methyl-tetrahydro-2H-pyran-2-yl)-SCHEMBL3362699DTXSID909572113,4-dihydro-6,8-dihydroxy-3-(6-methyltetrahydropyran- 2-ylmethyl)isocoumarinWOMKDMUZNBFXKG-UHFFFAOYSA-N1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-, [2R-[2.alpha.(R*),6.beta.]]-BS-10296,8-dihydroxy-3-[(6-methyloxan-2-yl)methyl]-3,4-dihydro-1H-2-benzopyran-1-one1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-
Show more names
1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[(tetrahydro-6-methyl-2H-pyran-2-yl)methyl]-, [2R-[2.alpha.(R),6.beta.]]-3,4-dihydro-6,8-dihydroxy3[(tetrahydro-6-methyl-2h-pyran-2-yl)methyl]-1h-2-benzopyran-1-one6,8-Dihydroxy-3-[(6-methyltetrahydro-2H-pyran-2-yl)methyl]-3,4-dihydro-1H-isochromen-1-one #
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…