Sterequinone-A
PubChem CID: 641675
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | sterequinone A, Sterequinone-A, CHEMBL447812, 3,11-dimethyl-1H-cyclopenta[b]anthracene-5,10-dione, 1H-cyclopent[b]anthracene-5,10-dione, 3,11-dimethyl-, 3,11-Dimethyl-3a,11a-dihydro-1H-cyclopenta[b]anthracene-5,10-dione, InChI=1/C19H14O2/c1-10-7-8-12-11(2)17-16(9-15(10)12)18(20)13-5-3-4-6-14(13)19(17)21/h3-7,9H,8H2,1-2H |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethyl-3H-cyclopenta[b]anthracene-5,10-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | True |
| Molecular Formula | C19H14O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPEWMUGQLRGDCB-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Sterequinone-A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.099 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 274.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 274.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.445834942857142 |
| Inchi | InChI=1S/C19H14O2/c1-10-7-8-12-11(2)17-16(9-15(10)12)18(20)13-5-3-4-6-14(13)19(17)21/h3-7,9H,8H2,1-2H3 |
| Smiles | CC1=CCC2=C(C3=C(C=C12)C(=O)C4=CC=CC=C4C3=O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients