General Information of the Compound
| Compound ID |
CP0077405
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| Compound Name |
(Z)-Gugglesterone
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| Synonyms |
Guggulsterone E
(17E)-Pregna-4,17(20)-diene-3,16-dione
(17E)-pregna-4,17-diene-3,16-dione
(17Z)-Pregna-4,17(20)-diene-3,16-dione
(17Z)-pregna-4,17-diene-3,16-dione
(8R,9S,10R,13S,14S,17E)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
(E)-Guggulsterone
(Z)-Guggulsterone
39025-24-6
4,17(20)-cis-Pregnadiene-3,16-dione
95975-55-6
9B259YE66O
CHEMBL402063
Cis-Guggulsterone
E-GUGGULSTERONE
E-Guggulsteron
E-Guggulsterone
Guggulsterone
Guggulsterone E
Guggulsterone, (E)-
Guggulsterones E
Guggulsterones Z
Guglip
Pregna-4,17(20)-diene-3,16-dione
Pregna-4,17(20)-diene-3,16-dione, (17E)-
Pregna-4,17-diene-3,16-dione
Trans-Guggulsterone
UNII-9B259YE66O
Z-Guggulsterone
Z/E-Guggulsterone
trans-Guggulsterone
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| Structure |
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| Formula |
C21H28O2
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| Molecular Weight |
312.453
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| Canonical SMILES |
C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
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| InChIKey |
WDXRGPWQVHZTQJ-OSJVMJFVSA-N
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| CAS |
39025-23-5
39025-24-6
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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
Clinical Information about the Compound