Linear furanocoumarins

Description:

Furanocoumarins, with a structure characterized by a furan ring linearly fused to a coumarin.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Coumarins and derivatives ⮕ Furanocoumarins ⮕ Linear furanocoumarins

5-Hydroxy-8-methoxypsoralen
- ≥98%
Cas Number: 7471-73-0 Compound CID: 5385192

IUPAC Name: 4-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2

InChIKey: XPFCGZWOHNGDSP-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
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8-Hydroxybergapten
- ≥98%
Cas Number: 1603-47-0 Compound CID: 3083726

Formula: C₁₂H₈O₅ Molecular Weight: 232.19

IUPAC Name: 9-hydroxy-4-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)O

InChIKey: MVJHUMZXIJPVHV-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3
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oxyimperatorin
- ≥98%
Cas Number: 35740-18-2

IUPAC Name: 9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one

SMILES: CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C

InChIKey: CTJZWFCPUDPLME-UHFFFAOYSA-N

InChI: InChI=1S/C16H14O5/c1-16(2)11(21-16)8-19-15-13-10(5-6-18-13)7-9-3-4-12(17)20-14(9)15/h3-7,11H,8H2,1-2H3
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cnidilin
- ≥98%
Cas Number: 14348-22-2 Compound CID: 821449

Formula: C₁₇H₁₆O₅ Molecular Weight: 300.31

IUPAC Name: 9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one

SMILES: CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C

InChIKey: NNDOCYLWULORAM-UHFFFAOYSA-N

InChI: InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3
Details

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Rutamarin
- ≥98%
Cas Number: 14882-94-1 Compound CID: 26948

IUPAC Name: 2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl acetate

SMILES: CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C

InChIKey: AWMHMGFGCLBSAY-UHFFFAOYSA-N

InChI: InChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3
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Chalepensin
- ≥98%
Cas Number: 13164-03-9 Compound CID: 128834

IUPAC Name: 6-(2-methylbut-3-en-2-yl)furo[3,2-g]chromen-7-one

SMILES: CC(C)(C=C)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O

InChIKey: FYCCCUNGXGKNJV-UHFFFAOYSA-N

InChI: InChI=1S/C16H14O3/c1-4-16(2,3)12-8-11-7-10-5-6-18-13(10)9-14(11)19-15(12)17/h4-9H,1H2,2-3H3
Details

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Byakangelicin
- ≥99%
Cas Number: 482-25-7 EC Number: 683-113-3, 866-253-1 Compound CID: 10211

Formula: C₁₇H₁₈O₇ Molecular Weight: 334.3

IUPAC Name: 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one

SMILES: CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O

InChIKey: PKRPFNXROFUNDE-LLVKDONJSA-N

InChI: InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
Details

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3-CPs
- ≥98%
Cas Number: 20073-24-9 Compound CID: 62739

Formula: C₁₄H₁₀O₅ Molecular Weight: 258.23

IUPAC Name: ethyl 7-oxofuro[3,2-g]chromene-6-carboxylate

SMILES: CCOC(=O)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O

InChIKey: CFQAMEDTKHNQTP-UHFFFAOYSA-N

InChI: InChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3
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8,9-dimethyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one
Cas Number: 374702-15-5

Formula: C₁₆H₁₄O₃ Molecular Weight: 254.28

IUPAC Name: 13,14-dimethyl-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one

SMILES: CC1=C(OC2=CC3=C(C=C12)C4=C(CCC4)C(=O)O3)C

InChIKey: RMGKMCRYPIGTNK-UHFFFAOYSA-N

InChI: InChI=1S/C16H14O3/c1-8-9(2)18-14-7-15-13(6-12(8)14)10-4-3-5-11(10)16(17)19-15/h6-7H,3-5H2,1-2H3

Synonyms: 8,9-dimethyl-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1H)-one | MLS000085209 | HMS2391K20 | BDBM50236905 | CCG-22...

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2,3-dimethyl-5-propyl-7H-furo[3,2-g]chromen-7-one
Cas Number: 374702-46-2

Formula: C₁₆H₁₆O₃ Molecular Weight: 256.3

IUPAC Name: 2,3-dimethyl-5-propylfuro[3,2-g]chromen-7-one

SMILES: CCCC1=CC(=O)OC2=C1C=C3C(=C(OC3=C2)C)C

InChIKey: ZPRBNMALSYXIOM-UHFFFAOYSA-N

InChI: InChI=1S/C16H16O3/c1-4-5-11-6-16(17)19-15-8-14-12(7-13(11)15)9(2)10(3)18-14/h6-8H,4-5H2,1-3H3

Synonyms: 2,3-dimethyl-5-propyl-7H-furo[3,2-g]chromen-7-one | SMR000019748 | Oprea1_651237 | MLS000085208 | HMS2427E19 | BDBM50...

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2,3,5,6-tetramethyl-7H-furo[3,2-g]chromen-7-one
Cas Number: 374703-24-9

Formula: C₁₅H₁₄O₃ Molecular Weight: 242.27

IUPAC Name: 2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one

SMILES: CC1=C(C(=O)OC2=CC3=C(C=C12)C(=C(O3)C)C)C

InChIKey: WXJJMJBXWVJLTL-UHFFFAOYSA-N

InChI: InChI=1S/C15H14O3/c1-7-8(2)15(16)18-14-6-13-12(5-11(7)14)9(3)10(4)17-13/h5-6H,1-4H3

Synonyms: 2,3,5,6-tetramethyl-7H-furo[3,2-g]chromen-7-one | 2,3,5,6-tetramethylfuro[3,2-g]chromen-7-one | Oprea1_079868 | BDBM5...

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Oxypeucedanin hydrate
- ≥98%
Cas Number: 2643-85-8 EC Number: 866-277-2

IUPAC Name: 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one

SMILES: CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O

InChIKey: PEWFWDOPJISUOK-CYBMUJFWSA-N

InChI: InChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3/t13-/m1/s1
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