Danshenxinkun C
PubChem CID: 5320114
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| Compound Synonyms | Danshenxinkun C, 65907-77-9, 1-hydroxy-2,8-dimethylphenanthrene-3,4-dione, 3-Hydroxy-2,8-dimethyl-1,4-phenanthrenedione, 3-Hydroxy-2,8-dimethylphenanthrene-1,4-dione, SCHEMBL16421132, AKOS040761567, FS-6974 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,8-dimethylphenanthrene-3,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C16H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUULFFYQZPYLEM-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -5.921 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.539 |
| Compound Name | Danshenxinkun C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.582741484210526 |
| Inchi | InChI=1S/C16H12O3/c1-8-4-3-5-11-10(8)6-7-12-13(11)16(19)15(18)9(2)14(12)17/h3-7,17H,1-2H3 |
| Smiles | CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients