Basic information
- CAS
26091-73-6- Standard SMILES
CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12- InChIKey
QTAGQHZOLRFCBU-ZDUSSCGKSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Overview
Oxypeucedanin is a furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4. It has a role as a plant metabolite. It is a furanocoumarin, a lactone and an epoxide.
Names & identifiers
- Preferred name
- Oxypeucedanin
- IUPAC
- 4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
- English name
- OXYPEUCEDANIN
- Molecular formula
- C16H14O5
- Molecular weight
- 286.28
Names & synonyms
26091-73-6(-)-Oxypeucedanin4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-oneS1Y67F37PICHEBI:69830OXYPEUCEDANIN, (S)-OXYPEUCEDANIN, (-)-4-{[(2S)-3,3-dimethyloxiran-2-yl]methoxy}-7H-furo[3,2-g][1]benzopyran-7-one4-(((2S)-3,3-DIMETHYL-2-OXIRANYL)METHOXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2S)-3,3-DIMETHYL-2-OXIRANYL)METHOXY)-4-(((2S)-3,3-dimethyloxiran-2-yl)methoxy)furo(3,2-g)chromen-7-one4-(((2S)-3,3-dimethyloxiran-2-yl)methoxy)-7H-furo(3,2-g)(1)benzopyran-7-one
Show more names
Aids071127Aids-071127(S)-(-)-Oxypeucedanin(S)-(-)-4-(2,3-Epoxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one(S)-4-[(3,3-Dimethyloxiranyl)methoxy]-7H-furo[3,2-g][1]benzopyran-7-one7H-Furo[3,2-G][1]benzopyran-7-one, 4-((3,3-dimethyloxiranyl)methoxy)-, (S-)-7H-Furo[3,2-g][1]benzopyran-7-one, 4-[[(2S)-3,3-dimethyl-2-oxiranyl]methoxy]-(-)-4-[[(S)-3,3-Dimethyloxirane-2-yl]methoxy]-7H-furo[3,2-g][1]benzopyran-7-one
RefChem:169067(RS)-OXYPEUCEDANIN4-((3,3-Dimethyloxiran-2-yl)methoxy)-7H-furo(3,2-g)chromen-7-one4-((3,3-Dimethyloxiran-2-yl)methoxy)-7H-furo[3,2-g]chromen-7-one5-EPOXYISOPENTENYLOXYPSORALENE737-52-0737-52-0 26091-73-6Oxypeucedanin
Database identifiers
- CAS
26091-73-6、737-52-0- PubChem CID
- 33306
- DTXSID
DTXSID70948965- ChEMBL
CHEMBL510120- ChEBI
CHEBI:69830- UNII
- S1Y67F37PI
- EC Number
- 801-753-5
- Nikkaji
- J16.934J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Melting point
- 141 ℃ · 141℃
- Density
- 1.32 · 1.320
- FDA UNII
- 1 Y67F37PI · S1Y67F37PI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers4 total
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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