6-aldehydo-isoophiopogonone A
PubChem CID: 5317207
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-Aldehydo-isoophiopogonone A, 112500-90-0, 6-Aldehydo-isoophipogonone A, 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde, 6-Aldehydoisoophiopogonone A, HY-N7942, MEA50090, AKOS032962636, DA-70282, CS-0138854, D84983, 3-(Benzo[d][1,3]dioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxo-4H-chromene-6-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 603.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RTHZSGZAVUIROF-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -4.231 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.274 |
| Compound Name | 6-aldehydo-isoophiopogonone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 354.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.661231415384616 |
| Inchi | InChI=1S/C19H14O7/c1-9-16(21)12(6-20)18(23)15-17(22)11(7-24-19(9)15)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-7,21,23H,4,8H2,1H3 |
| Smiles | CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ophiopogon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients