Phenylpropanoids and polyketides

Description:

Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). Phenylpropanoids are aromatic compounds based on the phenylpropane skeleton. Polyketides usually consist of alternating carbonyl and methylene groups (beta-polyketones), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations.

Ancestors:

Organic compounds ⮕ Phenylpropanoids and polyketides

Tectoridin
- ≥98%
Cas Number: 611-40-5

Formula: C₂₂H₂₂O₁₁ Molecular Weight: 462.41

IUPAC Name: 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=CO2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O

InChIKey: CNOURESJATUGPN-UDEBZQQRSA-N

InChI: InChI=1S/C22H22O11/c1-30-21-13(32-22-20(29)19(28)17(26)14(7-23)33-22)6-12-15(18(21)27)16(25)11(8-31-12)9-2-4-10(24)5-3-9/h2-6,8,14,17,19-20,22-24,26-2show more
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Anhydroicaritin
- ≥98%
Cas Number: 38226-86-7

Formula: C₂₁H₂₀O₆ Molecular Weight: 368.38

IUPAC Name: 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

SMILES: CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C

InChIKey: PPCHTBBOSVKORE-UHFFFAOYSA-N

InChI: InChI=1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3

Synonyms: HY-N1940 | FT-0698350 | 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one | BDBM5...
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Aflatoxin Quality Control Sample,From corn
- 3.73±0.75 μg/kg
Cas Number: 1162-65-8

Formula: C₁₇H₁₂O₆ Molecular Weight: 312.27

IUPAC Name: (3S,7R)-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione

SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1

InChIKey: OQIQSTLJSLGHID-WNWIJWBNSA-N

InChI: InChI=1S/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3/t8-,17+/m0/s1
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Diphenylglycoluril
- ≥98%
Cas Number: 5157-15-3 Compound CID: 21237

Formula: C₁₆H₁₄N₄O₂ Molecular Weight: 294.316

IUPAC Name: 3a,6a-diphenyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

SMILES: C1=CC=C(C=C1)C23C(NC(=O)N2)(NC(=O)N3)C4=CC=CC=C4

InChIKey: WUDVGTHXCLJVJN-UHFFFAOYSA-N

InChI: InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)
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Vitexin
- ≥98%(HPLC)
Cas Number: 3681-93-4 EC Number: 222-963-8

Formula: C₂₁H₂₀O₁₀ Molecular Weight: 432.38

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O

InChIKey: SGEWCQFRYRRZDC-VPRICQMDSA-N

InChI: InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-show more

Synonyms: Apigenin 8-C-glucoside | 8-beta-D-Glucopyranosyl-apigenin | MFCD00017456 | ORIENTOSIDE
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stilbene-4，4'-dicarbonitrile
- ≥97%
Cas Number: 6292-62-2 EC Number: 228-548-8 Compound CID: 759338

IUPAC Name: 4-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile

SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C#N)C#N

InChIKey: RNIZPDIBRXCMRD-OWOJBTEDSA-N

InChI: InChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1+
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α-Zearalenol
- ≥98%
Cas Number: 36455-72-8 Compound CID: 5284645

Formula: C₁₈H₂₄O₅ Molecular Weight: 320.38

IUPAC Name: (4S,8R,12E)-8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one

SMILES: CC1CCCC(CCCC=CC2=C(C(=CC(=C2)O)O)C(=O)O1)O

InChIKey: FPQFYIAXQDXNOR-QDKLYSGJSA-N

InChI: InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,14,19-21H,2,4-6,8-9H2,1H3/b7-3+/t12-,14+/m0/s1
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Thonningianin A
- ≥98%
Cas Number: 271579-11-4 Compound CID: 10328286

IUPAC Name: [(10R,11R,12R,13S,15R)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.show more

SMILES: C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O

InChIKey: XQVKQEFQGYTUAR-VHBRHXFYSA-N

InChI: InChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)1show more
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Tranilast Sodium
- ≥98%
Cas Number: 104931-56-8 Compound CID: 23669590

Formula: C₁₈H₁₆NNaO₅ Molecular Weight: 349.3

IUPAC Name: sodium;2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

SMILES: COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)[O-])OC.[Na+]

InChIKey: KZGHWWBBHZLTTA-VRTOBVRTSA-M

InChI: InChI=1S/C18H17NO5.Na/c1-23-15-9-7-12(11-16(15)24-2)8-10-17(20)19-14-6-4-3-5-13(14)18(21)22;/h3-11H,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1/b10-8+;
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Phenol， 2-[2-(3-methoxyphenyl)ethenyl]-， (E)-
- ≥95%
Cas Number: 134964-55-9

Formula: C₁₅H₁₄O₂ Molecular Weight: 226.2705

SMILES: COC1=CC=CC(=C1)C=CC2=CC=CC=C2O

InChIKey: CKADNPRLDAEDMO-MDZDMXLPSA-N

InChI: InChI=1S/C15H14O2/c1-17-14-7-4-5-12(11-14)9-10-13-6-2-3-8-15(13)16/h2-11,16H,1H3/b10-9+
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Petunidin-3-O-Glucoside
- ≥90%
Cas Number: 6988-81-4 Compound CID: 176449

Formula: C₂₂H₂₃ClO₁₂ Molecular Weight: 514.86

IUPAC Name: (2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]

InChIKey: HBKZHMZCXXQMOX-YATQZQGFSA-N

InChI: InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,show more
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Moslosooflavone
- ≥97%
Cas Number: 3570-62-5 Compound CID: 188316

Formula: C₁₇H₁₄O₅ Molecular Weight: 298.29

IUPAC Name: 5-hydroxy-7,8-dimethoxy-2-phenylchromen-4-one

SMILES: COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=CC=C3)OC

InChIKey: IHLSBQVBFDTNTC-UHFFFAOYSA-N

InChI: InChI=1S/C17H14O5/c1-20-14-9-12(19)15-11(18)8-13(10-6-4-3-5-7-10)22-17(15)16(14)21-2/h3-9,19H,1-2H3
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