7-Methoxy-5-prenyloxycoumarin
PubChem CID: 15108314
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| Compound Synonyms | 7-methoxy-5-prenyloxycoumarin, 35590-41-1, CHEMBL513279, 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one, 7-Methoxy-5-((3-methylbut-2-en-1-yl)oxy)-2H-chromen-2-one, 7-methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-one, ZD7D2TE69K, DTXSID20568319, CHEBI:174415, HSJZJYCOXHKDBJ-UHFFFAOYSA-N, BDBM50292576, 7-Methoxy-5-[(3-methyl-2-buten-1-yl)oxy]-2H-1-benzopyran-2-one, 7-Methoxy-5-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 7-methoxy-5-[(3-methyl-2-buten-1-yl)oxy]- |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from lemon oil (Citrus limon). 5-Prenyloxy-7-methoxycoumarin is found in citrus. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22303 |
| Iupac Name | 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT204 |
| Xlogp | 3.4 |
| Molecular Formula | C15H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HSJZJYCOXHKDBJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -4.435 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.322 |
| Synonyms | 5-Prenyloxy-7-methoxycoumarin, 7-Methoxy-5-prenyloxycoumarin |
| Compound Name | 7-Methoxy-5-prenyloxycoumarin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 260.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 260.279 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.625065484210526 |
| Inchi | InChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3 |
| Smiles | CC(=CCOC1=CC(=CC2=C1C=CC(=O)O2)OC)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients