3,5-Dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
PubChem CID: 11012936
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| Topological Polar Surface Area | 105.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 517.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C17H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NFQZMQAILPAEBD-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.687 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.573 |
| Compound Name | 3,5-Dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 330.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5943437333333335 |
| Inchi | InChI=1S/C17H14O7/c1-22-8-6-11(19)13-12(7-8)24-17(15(21)14(13)20)9-4-3-5-10(18)16(9)23-2/h3-7,18-19,21H,1-2H3 |
| Smiles | COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=C(C(=CC=C3)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Source_db:cmaup_ingredients