Basic information
- CAS
121230-30-6- Standard SMILES
COc1c(C)c(O)c(C=O)c2c1C(O)CC(c1ccccc1)O2- InChIKey
DAAVAQORZATFQC-UHFFFAOYSA-N- Molecular formula
- C18H18O5
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.11542367
Overview
isolated from the root of Desmos cochinchinensis Lous; structure given in first source
Names & identifiers
- Preferred name
- 4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan
- IUPAC
- 4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde
- English name
- 4,7-dihydroxy-5-methoxy-6-methyl-8-formylflavan
- Molecular weight
- 0
Names & synonyms
121230-30-64,7-Dmmf4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan4,7-Dihydroxyl-5-methoxyl-6-methyl-8-formyl-flavanRefChem:967294,7-Dihydroxy-5-methoxy-6-methyl-2-phenylchromane-8-carbaldehyde142878-31-7DTXSID209237274,7-Dihydroxy-5-methoxyl-6-methyl-8-formyl-flavan4,7-DIHYDROXY-5-METHOXY-6-METHYL-2-PHENYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-CARBALDEHYDE
Database identifiers
- CAS
121230-30-6- PubChem CID
- 129394
- DTXSID
DTXSID20923727
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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