Oxypeucedanin
PubChem CID: 33306
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| Compound Synonyms | 26091-73-6, (-)-Oxypeucedanin, CCRIS 5725, 4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one, CHEBI:69830, S1Y67F37PI, OXYPEUCEDANIN, (S)-, OXYPEUCEDANIN, (-)-, 4-(((2S)-3,3-DIMETHYL-2-OXIRANYL)METHOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-{[(2S)-3,3-dimethyloxiran-2-yl]methoxy}-7H-furo[3,2-g][1]benzopyran-7-one, 7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2S)-3,3-DIMETHYL-2-OXIRANYL)METHOXY)-, 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((3,3-dimethyloxiranyl)methoxy)-, (S-)-, 4-(((2S)-3,3-dimethyloxiran-2-yl)methoxy)furo(3,2-g)chromen-7-one, 4-(((2S)-3,3-dimethyloxiran-2-yl)methoxy)-7H-furo(3,2-g)(1)benzopyran-7-one, UNII-S1Y67F37PI, CHEMBL510120, (S)-(-)-OXYPEUCEDANIN, DTXSID70948965, 7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,3-dimethyloxiranyl)methoxy]-,(S)-, BDBM50361376, AKOS037515166, XO167943, C09282, Q27104977, 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo(3,2-g)(1)benzopyran-7-one, 4-[(3,3-Dimethyloxiran-2-yl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one |
|---|---|
| Topological Polar Surface Area | 61.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 471.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P56817, P04798, P18507 |
| Iupac Name | 4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Target Id | NPT740 |
| Xlogp | 2.6 |
| Molecular Formula | C16H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QTAGQHZOLRFCBU-ZDUSSCGKSA-N |
| Fcsp3 | 0.3125 |
| Logs | -3.993 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.104 |
| Compound Name | Oxypeucedanin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 286.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4420498380952385 |
| Inchi | InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1 |
| Smiles | CC1([C@@H](O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Medica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Hansenia Forbesii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ostericum Grosseserratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Peucedanum Ostruthium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all