Tanshinaldehyde
PubChem CID: 124268
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| Compound Synonyms | Tanshinaldehyde, 142694-58-4, 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde, 1,2,6,7,8,9,10,11-Octahydro-1,6-dimethyl-10,11-dioxophenanthro(1,2-b)furan-6-carboxaldehyde, Phenanthro(1,2-b)furan-6-carboxaldehyde, 1,2,6,7,8,9,10,11-octahydro-1,6-dimethyl-10,11-dioxo-, 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho(1,2-g)(1)benzofuran-6-carbaldehyde, DTXSID40931602, 1,6-Dimethyl-10,11-dioxo-1,2,6,7,8,9,10,11-octahydrophenanthro[1,2-b]furan-6-carbaldehyde |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JRMAMBGELPWLSV-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -4.909 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.757 |
| Compound Name | Tanshinaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3276072782608694 |
| Inchi | InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,9-10H,3-4,7-8H2,1-2H3 |
| Smiles | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients