Ophioglonin
PubChem CID: 11461162
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ophioglonin, CHEBI:66823, 3,4,8,10-tetrahydroxyisochromeno[4,3-b]chromen-7(5H)-one, 850894-18-7, 3,4,8,10-tetrahydroxy-5H-isochromeno[4,3-b]chromen-7-one, 3,4,8,10-tetrahydroxy-5H-isochromeno(4,3-b)chromen-7-one, 3,4,8,10-tetrahydroxyisochromeno(4,3-b)chromen-7(5H)-one, CHEMBL480269, DTXSID701319091, Q27135456 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 545.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,8,10-tetrahydroxy-5H-isochromeno[4,3-b]chromen-7-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H10O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUFSGVREMRKLBR-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.951 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.79 |
| Compound Name | Ophioglonin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.043 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 314.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2355264086956517 |
| Inchi | InChI=1S/C16H10O7/c17-6-3-10(19)12-11(4-6)23-15-7-1-2-9(18)13(20)8(7)5-22-16(15)14(12)21/h1-4,17-20H,5H2 |
| Smiles | C1C2=C(C=CC(=C2O)O)C3=C(O1)C(=O)C4=C(C=C(C=C4O3)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Catechu (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Areca Catechu (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Herpetospermum Pedunculosum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Ophioglossum Costatum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ophioglossum Nudicaule (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ophioglossum Pendulum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ophioglossum Petiolatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Ophioglossum Vulgatum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Senegalia Catechu (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Senegalia Mellifera (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Senegalia Pennata (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Senegalia Tenuifolia (Plant) Rel Props:Reference: