4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan
PubChem CID: 129394
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| Compound Synonyms | 121230-30-6, 4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan, 4,7-Dmmf, 4,7-Dihydroxyl-5-methoxyl-6-methyl-8-formyl-flavan, 4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde, DTXSID20923727, 4,7-Dihydroxy-5-methoxyl-6-methyl-8-formyl-flavan, 4,7-Dihydroxy-5-methoxy-6-methyl-2-phenylchromane-8-carbaldehyde, 142878-31-7, 4,7-DIHYDROXY-5-METHOXY-6-METHYL-2-PHENYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-CARBALDEHYDE |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | DAAVAQORZATFQC-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Rotatable Bond Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | 4,7-Dihydroxy-5-methoxy-6-methyl-8-formylflavan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 314.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.115 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 314.3 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dihydroxy-5-methoxy-6-methyl-2-phenyl-3,4-dihydro-2H-chromene-8-carbaldehyde |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.67797635652174 |
| Inchi | InChI=1S/C18H18O5/c1-10-16(21)12(9-19)18-15(17(10)22-2)13(20)8-14(23-18)11-6-4-3-5-7-11/h3-7,9,13-14,20-21H,8H2,1-2H3 |
| Smiles | CC1=C(C(=C2C(=C1OC)C(CC(O2)C3=CC=CC=C3)O)C=O)O |
| Xlogp | 2.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C18H18O5 |
- 1. Outgoing r'ship
FOUND_INto/from Desmos Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients