Macrosporin
PubChem CID: 159926
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| Compound Synonyms | Macrosporin, 22225-67-8, 1,7-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione, 1,7-Dihydroxy-3-methoxy-6-methyl-9,10-anthracenedione, DTXSID50176769, 9,10-Anthracenedione, 1,7-dihydroxy-3-methoxy-6-methyl-, 1,7-dihydroxy-3-methoxy-6-methyl-9,10-anthraquinone, CHEMBL463054, DTXCID7099260, SCHEMBL16227189, CHEBI:219687, BDBM50480484, NS00094888, AK-693/40962746, Q63392820, 1,7-DIHYDROXY-3-METHOXY-6-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE, Macrosporin, Macrosporin, 1,7-Dihydroxy-3-methoxy-6-methyl-9,10-anthracenedione, Anthraquinone, 1,7-dihydroxy-3-methoxy-6-methyl-, Macrosporin |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P68400, P53350, P09619, P35916, P12931, P08069, Q05397, P54760, P24385, P24941, O60285, P31749, P41279, P04626, P15056, O00444, P08581, P06213, P00533, P35968, Q02763, O14965, P36888, Q96GD4, n.a. |
| Iupac Name | 1,7-dihydroxy-3-methoxy-6-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FKTPLNFTYJEAAB-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -5.477 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.855 |
| Compound Name | Macrosporin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8745125428571425 |
| Inchi | InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3 |
| Smiles | CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Primula Modesta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all