Basic information
- CAS
10387-50-5- Standard SMILES
CC(C)=CCOc1ccc2ccc(=O)oc2c1- InChIKey
SMHJTSOVVRGDEO-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Overview
7-(Isopentenyloxy)coumarin has been reported in Heracleum dissectum, Melicope semecarpifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- 7-Prenyloxycoumarin
- IUPAC
- 7-(3-methylbut-2-enoxy)chromen-2-one
- English name
- Nsc267697
- Molecular formula
- C14H14O3
- Molecular weight
- 230.26
Names & synonyms
7-Prenyloxycoumarin7-(3-methylbut-2-enoxy)chromen-2-oneDTXSID50313213RefChem:1074543DTXCID5026433710387-50-5NSC2676977-((3-Methylbut-2-en-1-yl)oxy)-2H-chromen-2-one7-Prenylumbelliferone7-O-Prenylumbelliferone7-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-oneCHEMBL156692
Show more names
7-Isoprenyloxycoumarin7-Prenyloxycoumarin, 10 mM in DMSO2H-1-Benzopyran-2-one, 7-[(3-methyl-2-buten-1-yl)oxy]-Fungal,7-Prenyloxycoumarin,inhibit,Inhibitor,7 Prenyloxycoumarin,7Prenyloxycoumarin
DIMETHYLALLYLUMBELLIFERONE, 0-7-[(3-Methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one7-(Isopentenyloxy)coumarin7-(3-METHYL-2-BUTENYLOXY)COUMARINMLS001049095orb1220795orb1301531SCHEMBL4898255
Database identifiers
- CAS
10387-50-5- PubChem CID
- 320362
- DTXSID
DTXSID50313213- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
LogP3.91
Physicochemical properties
- Melting point
- 77 · 77-78℃
- Boiling point
- 390.9 · 390.9±42.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- Soluble in DMSO
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1].
Suppliers55 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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