Homoisoflavonoids

Description:

Naturally occurring oxygen heterocycles with a structure based on a 16-carbon skeleton including a chromanone, chromone or chromane system with a benzyl group at position C-3.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides ⮕ Homoisoflavonoids

4'-Demethyl-3，9-dihydroeucomin
- ≥98%
Cas Number: 107585-77-3 Compound CID: 9971218

IUPAC Name: 5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one

SMILES: C1C(C(=O)C2=C(C=C(C=C2O1)O)O)CC3=CC=C(C=C3)O

InChIKey: FIASLUPJXGTCKM-UHFFFAOYSA-N

InChI: InChI=1S/C16H14O5/c17-11-3-1-9(2-4-11)5-10-8-21-14-7-12(18)6-13(19)15(14)16(10)20/h1-4,6-7,10,17-19H,5,8H2
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(E)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one
Cas Number: 37674-86-5

Formula: C₁₇H₁₄O₃ Molecular Weight: 266.29

IUPAC Name: (3E)-3-[(4-methoxyphenyl)methylidene]chromen-4-one

SMILES: COC1=CC=C(C=C1)C=C2COC3=CC=CC=C3C2=O

InChIKey: QTMKMLMMSDDCIP-JLHYYAGUSA-N

InChI: InChI=1S/C17H14O3/c1-19-14-8-6-12(7-9-14)10-13-11-20-16-5-3-2-4-15(16)17(13)18/h2-10H,11H2,1H3/b13-10+

Synonyms: (E)-2,3-Dihydro-3-((4-methoxyphenyl)methylene)-4H-1-benzopyran-4-one | 3-(4-Methoxybenzylidene)chroman-4-one | (3E)-3...

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Ophiopogonanone E
- ≥98%
Cas Number: 588706-66-5 Compound CID: 5316797

IUPAC Name: 5,7-dihydroxy-3-[(2-hydroxy-4-methoxyphenyl)methyl]-8-methoxy-6-methyl-2,3-dihydrochromen-4-one

SMILES: CC1=C(C2=C(C(=C1O)OC)OCC(C2=O)CC3=C(C=C(C=C3)OC)O)O

InChIKey: FMFZMWWKEGLLRS-UHFFFAOYSA-N

InChI: InChI=1S/C19H20O7/c1-9-15(21)14-17(23)11(8-26-18(14)19(25-3)16(9)22)6-10-4-5-12(24-2)7-13(10)20/h4-5,7,11,20-22H,6,8H2,1-3H3
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Ophiopogonanone C
- ≥96%
Cas Number: 477336-75-7 Compound CID: 10871974

IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxo-2,3-dihydrochromene-8-carbaldehyde

SMILES: CC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC4=C(C=C3)OCO4)C=O)O

InChIKey: AQUXTCZWTTUERG-UHFFFAOYSA-N

InChI: InChI=1S/C19H16O7/c1-9-16(21)12(6-20)19-15(17(9)22)18(23)11(7-24-19)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-6,11,21-22H,4,7-8H2,1H3
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Methylophiopogonanone A
- ≥98%
Cas Number: 74805-92-8

Formula: C₁₉H₁₈O₆ Molecular Weight: 342.34

IUPAC Name: (3R)-3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one

SMILES: CC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC4=C(C=C3)OCO4)C)O

InChIKey: BXTNNJIQILYHJB-GFCCVEGCSA-N

InChI: InChI=1S/C19H18O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6,12,20-21H,5,7-8H2,1-2H3/t12-/m1/s1

Synonyms: (R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethylchroman-4-one | (3R)-3-(1,3-Benzodioxol-5-ylmethyl)-...
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6-aldehydo-isoophiopogonone A
- ≥98%
Cas Number: 112500-90-0 Compound CID: 5317207

IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-8-methyl-4-oxochromene-6-carbaldehyde

SMILES: CC1=C(C(=C(C2=C1OC=C(C2=O)CC3=CC4=C(C=C3)OCO4)O)C=O)O

InChIKey: RTHZSGZAVUIROF-UHFFFAOYSA-N

InChI: InChI=1S/C19H14O7/c1-9-16(21)12(6-20)18(23)15-17(22)11(7-24-19(9)15)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-7,21,23H,4,8H2,1H3
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Episappanol
Cas Number: 111254-18-3 Compound CID: 13846650

Formula: C₁₆H₁₆O₆ Molecular Weight: 304.29

IUPAC Name: (3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol

SMILES: C1C(C(C2=C(O1)C=C(C=C2)O)O)(CC3=CC(=C(C=C3)O)O)O

InChIKey: MPGFEHZDABUJFR-HZPDHXFCSA-N

InChI: InChI=1S/C16H16O6/c17-10-2-3-11-14(6-10)22-8-16(21,15(11)20)7-9-1-4-12(18)13(19)5-9/h1-6,15,17-21H,7-8H2/t15-,16-/m1/s1

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Methylophiopogonone A
- ≥99%
Cas Number: 74805-90-6 Compound CID: 10065830

Formula: C₁₉H₁₆O₆ Molecular Weight: 340.33

IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6,8-dimethylchromen-4-one

SMILES: CC1=C(C(=C2C(=C1O)C(=O)C(=CO2)CC3=CC4=C(C=C3)OCO4)C)O

InChIKey: AUTZLTCWRDPAPV-UHFFFAOYSA-N

InChI: InChI=1S/C19H16O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6-7,20-21H,5,8H2,1-2H3
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Methylophiopogonanone B
- ≥99%
Cas Number: 74805-91-7 EC Number: 813-739-6 Compound CID: 46886723

Formula: C₁₉H₂₀O₅ Molecular Weight: 328.36

IUPAC Name: (3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one

SMILES: CC1=C(C(=C2C(=C1O)C(=O)C(CO2)CC3=CC=C(C=C3)OC)C)O

InChIKey: UFMAZRUMVFVHLY-CYBMUJFWSA-N

InChI: InChI=1S/C19H20O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,13,20-21H,8-9H2,1-3H3/t13-/m1/s1

Synonyms: AKOS032948998 | (3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one | 8-Methylophiop...
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3-(4-hydroxy-3,5-diiodobenzoyl)-2-propylchromen-4-one
IUPAC Name: 3-(4-hydroxy-3,5-diiodobenzoyl)-2-propylchromen-4-one

SMILES: CCCc1oc2ccccc2c(=O)c1C(=O)c1cc(I)c(c(c1)I)O

InChIKey: UQTXCTDQSVOMGL-UHFFFAOYSA-N

InChI: InChI=1S/C19H14I2O4/c1-2-5-15-16(18(23)11-6-3-4-7-14(11)25-15)17(22)10-8-12(20)19(24)13(21)9-10/h3-4,6-9,24H,2,5H2,1H3

Synonyms: compound 3
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CP105696
Cas Number: 158081-99-3 Compound CID: 9867257

Formula: C₂₈H₂₈O₄ Molecular Weight: 428.52

IUPAC Name: 1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-chromen-7-yl]cyclopentane-1-carboxylic acid

SMILES: C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O

InChIKey: KMNLXCBYBKHKSK-BKMJKUGQSA-N

InChI: InChI=1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14show more

Synonyms: CP105,696 | CP-105,696 | Z7354TW4BM | Tox21_300468 | NCGC00254407-01 | Cyclopentanecarboxylic acid, 1-(3-((1,1'-biphe...
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SB743921
- ≥95%
Cas Number: 940929-33-9 Compound CID: 49867937

Formula: C₃₁H₃₄Cl₂N₂O₃ Molecular Weight: 553.53

IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide;hydrochloride

SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C.Cl

InChIKey: MLMZVWABFOLFGV-LNLSOMNWSA-N

InChI: InChI=1S/C31H33ClN2O3.ClH/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30;/h4-6,8-1show more

Synonyms: SB-743921 hydrochloride | SB743921 hydrochloride, >=98% (HPLC) | A859578 | AKOS024458497 | SB743921 HCl | SB-743921 H...
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