General Information of the Compound
| Compound ID |
CP0068586
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| Compound Name |
(1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde
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| Synonyms |
Aldocorten
(+)-Aldosterone
(11BETA)-11,21-DIHYDROXY-3,20-DIOXOPREGN-4-EN-18-AL
(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
11beta,21-Dihydroxy-3,20-diketo-4-pregnen-18-al
11beta,21-Dihydroxy-3,20-diketopregn-4-ene-18-al
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al, 18,11-halbacetal
11beta,21-Dihydroxypregn-4-ene-3,18,20-trione
11beta,21-dihydroxy-3,20-dioxo-pregn-4-ene-18-al
11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al
18-Aldocorticosterone
18-Formyl-11beta,21-dihydroxy-4-pregnene-3,20-dione
18-Oxocorticosterone
52-39-1
ALDOSTERONE
Aldocorten
Aldocortene
Aldocortin
Aldosterona
Aldosterona [INN-Spanish]
Aldosterone
Aldosterone [INN:BAN:DCF]
Aldosterone, (+-)-Isomer
Aldosterone, (11 beta,17 alpha)-Isomer
Aldosteronum
Aldosteronum [INN-Latin]
D-Aldosterone
Electrocortin
Elektrocortin
NSC 73856
Reichstein X
UNII-4964P6T9RB
[3H]aldosterone
d-Aldosterone
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| Structure |
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| Formula |
C21H28O5
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| Molecular Weight |
360.45
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| Canonical SMILES |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
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| InChI |
InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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| InChIKey |
PQSUYGKTWSAVDQ-ZVIOFETBSA-N
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| CAS |
152-04-5
52-39-1
10328-70-8
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Clinical Information about the Compound