Erythroglaucin
PubChem CID: 10152
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| Compound Synonyms | Erythroglaucin, Erythroglaucine, 476-57-3, 1,4,5-trihydroxy-7-methoxy-2-methylanthracene-9,10-dione, CHEBI:68790, ANTHRAQUINONE, 7-METHOXY-2-METHYL-1,4,5-TRIHYDROXY-, 9,10-Anthracenedione, 1,4,5-trihydroxy-7-methoxy-2-methyl-, CCRIS 6424, BRN 1890890, CHEMBL463597, SCHEMBL16226462, DTXSID30197215, VUUONEBXXLQCQX-UHFFFAOYSA-N, Q27137181, 1,4,5-Trihydroxy-7-methoxy-2-methylanthra-9,10-quinone # |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,5-trihydroxy-7-methoxy-2-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VUUONEBXXLQCQX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.245 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.523 |
| Compound Name | Erythroglaucin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.080485563636364 |
| Inchi | InChI=1S/C16H12O6/c1-6-3-9(17)12-13(14(6)19)15(20)8-4-7(22-2)5-10(18)11(8)16(12)21/h3-5,17-19H,1-2H3 |
| Smiles | CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients