Nortanshinone
PubChem CID: 10062187
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| Compound Synonyms | Nortanshinone, 97399-70-7, 1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6,10,11-trione, 1-methyl-8,9-dihydrophenanthro[1,2-b]furan-6,10,11(7H)-trione, SCHEMBL16152317, HY-N6914, AKOS037515047, DA-66187, MS-23972, CS-0100566, G14110, 1-methyl-8,9-dihydro-7h-naphtho[5,6-g]benzofuran-6,10,11-trione |
|---|---|
| Topological Polar Surface Area | 64.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 511.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-6,10,11-trione |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YUFZXVOYNSJPSJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -5.84 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.579 |
| Compound Name | Nortanshinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 280.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 280.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3387488476190477 |
| Inchi | InChI=1S/C17H12O4/c1-8-7-21-17-11-6-5-9-10(3-2-4-12(9)18)14(11)16(20)15(19)13(8)17/h5-7H,2-4H2,1H3 |
| Smiles | CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=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