Basic information
- CAS
642-05-7- Standard SMILES
CC(C)=CCc1c2ccoc2c(O)c2oc(=O)ccc12- InChIKey
KDXVVZMYSLWJMA-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Overview
Alloimperatorin is a member of psoralens.
Names & identifiers
- Preferred name
- Alloimperatorin
- IUPAC
- 9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-one
- English name
- ALLOIMPERATORIN
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
AlloimperatorinPrangenidin9-hydroxy-4-(3-methylbut-2-enyl)furo[3,2-g]chromen-7-oneUNII-3043NX3603NSC 301051NSC-3010513043NX3603DTXSID202144009-Hydroxy-4-(3-methyl-2-butenyl)-7H-furo(3,2-g)(1)benzopyran-7-one5-Benzofuranacrylic acid, 6,7-dihydroxy-4-(3-methyl-2-butenyl)-, .delta.-lactone7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 9-HYDROXY-4-(3-METHYL-2-BUTEN-1-YL)-9-hydroxy-4-(3-methylbut-2-enyl)furo(3,2-g)chromen-7-one
Show more names
ALLOIMPERATORIN USP/EP/BP9-Hydroxy-4-prenylpsoralen8-Hydroxy-5-prenylpsoralenAlloimperatorin, 10 mM in DMSOInhibitor,Alloimperatorin,inhibit
RefChem:110811ALLOIMPERATORIN [INCI]DTXCID801368915-Benzofuranacrylic acid, 6,7-dihydroxy-4-(3-methyl-2-butenyl)-, delta-lactoneKDXVVZMYSLWJMA-UHFFFAOYSA-N642-05-79-hydroxy-4-(3-methylbut-2-en-1-yl)-7H-furo[3,2-g]chromen-7-one7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-4-(3-methyl-2-butenyl)-
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Melting point
- 224 · 224-225℃
- Boiling point
- 476.1 · 476.1±45.0 °C(Predicted)
- Density
- 1.298 · 1.298
- pka
- 5.98 · 5.98±0.20(Predicted)
- form
- Solid
- color
- White to light yellow
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- FDA UNII
- 3043 NX3603 · 3043NX3603
Chemistry & industry
Applications
UsesAlloimperatorin displays moderate antileishmanial activity against Leishmania donovani promastigotes. Dark and photosensitized effects. A potent urease inhibitor.
Upstream & downstream products
Downstream products
Suppliers58 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
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]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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