3,8-Dihydroxy-10-methoxyisochromeno[4,3-b]chromen-7(5h)-one
PubChem CID: 139030718
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| Compound Synonyms | 3,8-dihydroxy-10-methoxyisochromeno[4,3-b]chromen-7(5h)-one |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 529.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8-dihydroxy-10-methoxy-5H-isochromeno[4,3-b]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C17H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XKSDCDGUMALGSI-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -4.013 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.776 |
| Compound Name | 3,8-Dihydroxy-10-methoxyisochromeno[4,3-b]chromen-7(5h)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5920000086956527 |
| Inchi | InChI=1S/C17H12O6/c1-21-10-5-12(19)14-13(6-10)23-16-11-3-2-9(18)4-8(11)7-22-17(16)15(14)20/h2-6,18-19H,7H2,1H3 |
| Smiles | COC1=CC(=C2C(=C1)OC3=C(C2=O)OCC4=C3C=CC(=C4)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fagopyrum Dibotrys (Plant) Rel Props:Source_db:cmaup_ingredients