Coumarins and derivatives

Description:

Polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Coumarins and derivatives

4-(CHLOROMETHYL)-6-METHYL-2H-CHROMEN-2-ONE
- ≥95%
Cas Number: 41295-65-2 Compound CID: 907442

Formula: C₁₁H₉ClO₂ Molecular Weight: 208.64

IUPAC Name: 4-(chloromethyl)-6-methylchromen-2-one

SMILES: CC1=CC2=C(C=C1)OC(=O)C=C2CCl

InChIKey: SPXMXBBTSABPSK-UHFFFAOYSA-N

InChI: InChI=1S/C11H9ClO2/c1-7-2-3-10-9(4-7)8(6-12)5-11(13)14-10/h2-5H,6H2,1H3
Details

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3-Methyl-2H-chromen-2-one
- ≥97%
Cas Number: 2445-82-1 Compound CID: 17130

Formula: C₁₀H₈O₂ Molecular Weight: 160.17

IUPAC Name: 3-methylchromen-2-one

SMILES: CC1=CC2=CC=CC=C2OC1=O

InChIKey: VIIIJFZJKFXOGG-UHFFFAOYSA-N

InChI: InChI=1S/C10H8O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3
Details

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3-Acetyl-7-(diethylamino)-2H-chromen-2-one
- ≥97%
Cas Number: 74696-96-1 Compound CID: 688763

Formula: C₁₅H₁₇NO₃ Molecular Weight: 259.30

IUPAC Name: 3-acetyl-7-(diethylamino)chromen-2-one

SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C

InChIKey: JQYDECSZBZCKFQ-UHFFFAOYSA-N

InChI: InChI=1S/C15H17NO3/c1-4-16(5-2)12-7-6-11-8-13(10(3)17)15(18)19-14(11)9-12/h6-9H,4-5H2,1-3H3

Synonyms: 3-acetyl-7-diethylaminocoumarin
Details

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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
Details

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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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Xanthoxyletin
- ≥98%
Cas Number: 84-99-1 Compound CID: 66548

IUPAC Name: 5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one

SMILES: CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C

InChIKey: JSJIIHRNDMLJGK-UHFFFAOYSA-N

InChI: InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
Details

Pricing Close
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
Details

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Methyl 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetate
- ≥95%
Cas Number: 95903-37-0 Compound CID: 5396665

Formula: C₁₃H₁₂O₅ Molecular Weight: 248.23

IUPAC Name: methyl 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate

SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)OC

InChIKey: CXVNWNKFVYXEHU-UHFFFAOYSA-N

InChI: InChI=1S/C13H12O5/c1-7-9-4-3-8(14)5-11(9)18-13(16)10(7)6-12(15)17-2/h3-5,14H,6H2,1-2H3
Details

Pricing Close
Haloxon
- ≥98%
Cas Number: 321-55-1 Compound CID: 9454

Formula: C₁₄H₁₄Cl₃O₆P Molecular Weight: 415.59

IUPAC Name: bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate

SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)OP(=O)(OCCCl)OCCCl)Cl

InChIKey: KULDXINYXFTXMO-UHFFFAOYSA-N

InChI: InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3
Details

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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

Pricing Close
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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8-Methoxycoumarin
- ≥95%
Cas Number: 2445-81-0 Compound CID: 520130

Formula: C₁₀H₈O₃ Molecular Weight: 176.17

IUPAC Name: 8-methoxychromen-2-one

SMILES: COC1=CC=CC2=C1OC(=O)C=C2

InChIKey: ODRDTKMYQDXVGG-UHFFFAOYSA-N

InChI: InChI=1S/C10H8O3/c1-12-8-4-2-3-7-5-6-9(11)13-10(7)8/h2-6H,1H3
Details

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