Sterequinone G
PubChem CID: 5326347
Connections displayed (default: 10).
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| Compound Synonyms | Sterequinone G, 7-methoxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione, CHEMBL465768, 871577-16-1 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 526.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-1-methyl-2-(3-oxobutyl)anthracene-9,10-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Is Pains | True |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JNPVZLURHZXTGF-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Sterequinone G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 322.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9102320000000006 |
| Inchi | InChI=1S/C20H18O4/c1-11(21)4-5-13-6-8-16-18(12(13)2)20(23)17-10-14(24-3)7-9-15(17)19(16)22/h6-10H,4-5H2,1-3H3 |
| Smiles | CC1=C(C=CC2=C1C(=O)C3=C(C2=O)C=CC(=C3)OC)CCC(=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients