5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-8-methoxychromen-4-one
PubChem CID: 12314679
Connections displayed (default: 10).
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-8-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C18H16O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEPZPOJPNYKMPT-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.779 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.433 |
| Compound Name | 5,7-Dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-8-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 360.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 360.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.393056215384616 |
| Inchi | InChI=1S/C18H16O8/c1-23-13-5-8(4-11(20)16(13)24-2)9-7-26-18-14(15(9)22)10(19)6-12(21)17(18)25-3/h4-7,19-21H,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)O)C2=COC3=C(C2=O)C(=CC(=C3OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Domestica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all