sterequinone I
PubChem CID: 11716774
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| Compound Synonyms | sterequinone I, CHEMBL465770, 4a-hydroxy-7-methoxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 739.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4a-hydroxy-7-methoxy-1,4-dimethyl-2,3-dihydrocyclopenta[b]anthracene-5,10-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | True |
| Molecular Formula | C20H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | TZXPBWYICRUUSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 1.0 |
| Compound Name | sterequinone I |
| Prediction Hob Swissadme | 1.0 |
| 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 | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8837320000000006 |
| Inchi | InChI=1S/C20H18O4/c1-10-4-6-13-11(2)20(23)17(9-15(10)13)18(21)14-7-5-12(24-3)8-16(14)19(20)22/h5,7-9,23H,4,6H2,1-3H3 |
| Smiles | CC1=C2C=C3C(=O)C4=C(C=C(C=C4)OC)C(=O)C3(C(=C2CC1)C)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stereospermum Personatum (Plant) Rel Props:Source_db:cmaup_ingredients