2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
PubChem CID: 14261270
Connections displayed (default: 10).
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| Compound Synonyms | 2',4'-dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone, CHEMBL403150, LMPK12120540, 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)propan-1-one, 121781-36-0 |
|---|---|
| Topological Polar Surface Area | 85.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)propan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IHHOUZQOMVPTMQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.06 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.155 |
| Compound Name | 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 316.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8228027565217393 |
| Inchi | InChI=1S/C17H16O6/c1-21-16-8-11(18)7-13(20)17(16)12(19)4-2-10-3-5-14-15(6-10)23-9-22-14/h3,5-8,18,20H,2,4,9H2,1H3 |
| Smiles | COC1=CC(=CC(=C1C(=O)CCC2=CC3=C(C=C2)OCO3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Actinodaphne Lancifolia (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Daphne Lancifolia (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Iryanthera Coriacea (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Iryanthera Juruensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Iryanthera Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Iryanthera Paraensis (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Iryanthera Polyneura (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Litsea Lancifolia (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Rapanea Lancifolia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Schisandra Lancifolia (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Symplocos Lancifolia (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Uncaria Lancifolia (Plant) Rel Props:Reference: