10-Hydroxyliriodenine
PubChem CID: 11779019
Connections displayed (default: 10).
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| Compound Synonyms | 10-Hydroxyliriodenine, CHEMBL499126, 17-hydroxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one, 17-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one, BDBM50478501, 154659-89-9 |
|---|---|
| Topological Polar Surface Area | 68.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 17-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14(19),15,17-octaen-13-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H9NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCIADXOEPDQMOD-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -5.06 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.658 |
| Compound Name | 10-Hydroxyliriodenine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 291.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 291.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 291.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.092906218181818 |
| Inchi | InChI=1S/C17H9NO4/c19-9-1-2-10-11(6-9)14-13-8(3-4-18-15(13)16(10)20)5-12-17(14)22-7-21-12/h1-6,19H,7H2 |
| Smiles | C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=C3C=C(C=C5)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Xylopia Aethiopica (Plant) Rel Props:Source_db:cmaup_ingredients