Metabolites-Aladdin Scientific

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Ethinyl Estradiol, Estrogen receptor alpha agonist
- ≥98%
Cas#: 57-63-6 Compound CID: 5991

Formula: C₂₀H₂₄O₂ Molecular Weight: 296.4

IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI: InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

Synonyms: Ethinylestradiol (Standard) | Ethynyloestradiol | Estigyn | 17-Ethinylestradiol | CHEBI:4903 | Ethinyl Estradiol [USP...
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Diethylstilbestrol, Agonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen-related receptor-α;Antagonist of Estrogen-related receptor-β;Antagonist of Estrogen-related receptor-γ
- ≥99%
Cas#: 56-53-1 Compound CID: 448537

Formula: C₁₈H₂₀O₂ Molecular Weight: 268.35

IUPAC Name: 4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChIKey: RGLYKWWBQGJZGM-ISLYRVAYSA-N

InChI: InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

Synonyms: DES | 4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | Diethylstilbesterol | Makarol | Stilbofolin | 4,4'-(Hex-3-ene...
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(±)-3-Hydroxydecanoic acid, Agonist of GPR84
- ≥98%
Cas#: 5561-87-5 Compound CID: 26612

Formula: C₁₀H₂₀O₃ Molecular Weight: 188.26

IUPAC Name: 3-hydroxydecanoic acid

SMILES: CCCCCCCC(CC(=O)O)O

InChIKey: FYSSBMZUBSBFJL-UHFFFAOYSA-N

InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

Synonyms: (+/-)-3-Hydroxydecanoic acid | (+/-)-3-Hydroxy-decanoic Acid | AKOS011680873 | 3-OH-C10 | A74EFF12-378B-4657-9726-F37...
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2-Hydroxydecanoic acid , Agonist of GPR84
- ≥98%
Cas#: 5393-81-7 Compound CID: 21488

Formula: C₁₀H₂₀O₃ Molecular Weight: 188.27

IUPAC Name: 2-hydroxydecanoic acid

SMILES: CCCCCCCCC(C(=O)O)O

InChIKey: GHPVDCPCKSNJDR-UHFFFAOYSA-N

InChI: InChI=1S/C10H20O3/c1-2-3-4-5-6-7-8-9(11)10(12)13/h9,11H,2-8H2,1H3,(H,12,13)

Synonyms: (+/-)-2-Hydroxydecanoic acid | 2-Hydroxycapric acid | 2-HYDROXYDECANOIC ACID | 2-hydroxy-decanoic acid | DL-2-HYDROXY...
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2-Hydroxydodecanoic acid, Agonist of GPR84
- ≥95%
Cas#: 2984-55-6 Compound CID: 97783

Formula: C₁₂H₂₄O₃ Molecular Weight: 216.32

IUPAC Name: 2-hydroxydodecanoic acid

SMILES: CCCCCCCCCCC(C(=O)O)O

InChIKey: YDZIJQXINJLRLL-UHFFFAOYSA-N

InChI: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

Synonyms: 2-OH-C12 | Dodecanoic acid,2-hydroxy- | YDZIJQXINJLRLL-UHFFFAOYSA-N | 2-Hydroxydodecanoic acid | CAA98455 | DL-2-HYDR...
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3-Hydroxydodecanoic acid, Agonist of GPR84
- ≥98%
Cas#: 1883-13-2 Compound CID: 94216

Formula: C₁₂H₂₄O₃ Molecular Weight: 216.32

IUPAC Name: 3-hydroxydodecanoic acid

SMILES: CCCCCCCCCC(CC(=O)O)O

InChIKey: MUCMKTPAZLSKTL-UHFFFAOYSA-N

InChI: InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

Synonyms: 3-OH lauric acid | beta-Hydroxylauric acid | beta-OH dodecanoic acid | 3-(R)-Hydroxydodecanoic acid | DL-beta-Hydroxy...
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4-(2-Aminoethyl)benzene-1,2-diol, Agonist of D 1 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of D 4 receptor;Agonist of D 5 receptor
Cas#: 51-61-6 Compound CID: 681

Formula: C₈H₁₁NO₂ Molecular Weight: 153.18

IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol

SMILES: C1=CC(=C(C=C1CCN)O)O

InChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

Synonyms: dopamine | 3-Hydroxytyramine | Oxytyramine
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pregnenolone sulphate, Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit;Activator of TRPM1;Activator of TRPM3
Cas#: 1247-64-9 Compound CID: 105074

IUPAC Name: [(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C

InChIKey: DIJBBUIOWGGQOP-QGVNFLHTSA-N

InChI: InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1

Synonyms: CMC_13403 | BDBM50503144 | UNII-04Y4D91RG0 | PREGS | Pregnenolone monosulfate | [3H]pregnenolone sulphate | LUZRJRNZX...
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